 | | FS6 | | Name: | 1-[4-ethyl-2-methyl-5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone | | Formula: | C15 H21 N3 O S | | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(CCNC)n2 | | InChi: | InChI=1S/C15H21N3OS/c1-5-11-14(10(3)19)9(2)17-15(11)12-8-20-13(18-12)6-7-16-4/h8,16-17H,5-7H2,1-4H3 | | Definition date: | 2022-01-25 | | Last modified: | 2022-09-23 | | Release date: | 2022-09-28 | | Identifier: | 1-[4-ethyl-2-methyl-5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone |
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 | | FWR | | Name: | 1-[5-[2-(3-azanylpropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone | | Formula: | C15 H21 N3 O S | | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(CCCN)n2 | | InChi: | InChI=1S/C15H21N3OS/c1-4-11-14(10(3)19)9(2)17-15(11)12-8-20-13(18-12)6-5-7-16/h8,17H,4-7,16H2,1-3H3 | | Definition date: | 2022-01-26 | | Last modified: | 2022-09-23 | | Release date: | 2022-09-28 | | Identifier: | 1-[5-[2-(3-azanylpropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone |
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 | | I1A | | Name: | dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate | | Formula: | C23 H29 N O6 | | SMILES: | COC(=O)C(CC=C)(Cc1c(C)n(C(=O)OC(C)(C)C)c2ccccc12)C(=O)OC | | InChi: | InChI=1S/C23H29NO6/c1-8-13-23(19(25)28-6,20(26)29-7)14-17-15(2)24(21(27)30-22(3,4)5)18-12-10-9-11-16(17)18/h8-12H,1,13-14H2,2-7H3 | | Definition date: | 2022-05-30 | | Last modified: | 2022-09-23 | | Release date: | 2022-09-28 | | Identifier: | dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate |
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 | | I5G | | Name: | 1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide | | Formula: | C23 H20 Cl2 N4 O3 | | SMILES: | COc1cc2c(Cl)nccc2cc1C(=O)N[CH]([CH]3C[CH](O)CN3)c4ccc(C#N)c(Cl)c4 | | InChi: | InChI=1S/C23H20Cl2N4O3/c1-32-20-9-16-12(4-5-27-22(16)25)6-17(20)23(31)29-21(19-8-15(30)11-28-19)13-2-3-14(10-26)18(24)7-13/h2-7,9,15,19,21,28,30H,8,11H2,1H3,(H,29,31)/t15-,19+,21-/m0/s1 | | Definition date: | 2022-06-10 | | Last modified: | 2022-09-23 | | Release date: | 2022-09-28 | | Identifier: | 1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide |
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 | | IY8 | | Name: | methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinous acid | | Formula: | C19 H35 O6 P | | SMILES: | COC(=O)[CH]([CH](CCCCCCCC=CC)CC[P](O)(=O)OC)C(C)=O | | InChi: | InChI=1S/C19H35O6P/c1-5-6-7-8-9-10-11-12-13-17(14-15-26(22,23)25-4)18(16(2)20)19(21)24-3/h5-6,17-18H,7-15H2,1-4H3,(H,22,23)/b6-5+/t17-,18+/m1/s1 | | Definition date: | 2022-04-20 | | Last modified: | 2022-09-23 | | Release date: | 2022-09-28 | | Identifier: | methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinic acid |
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 | | IYB | | Name: | undecyl dihydrogen phosphate | | Formula: | C11 H25 O4 P | | SMILES: | CCCCCCCCCCCO[P](O)(O)=O | | InChi: | InChI=1S/C11H25O4P/c1-2-3-4-5-6-7-8-9-10-11-15-16(12,13)14/h2-11H2,1H3,(H2,12,13,14) | | Definition date: | 2022-04-20 | | Last modified: | 2022-09-23 | | Release date: | 2022-09-28 | | Identifier: | undecyl dihydrogen phosphate |
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 | | JRP | | Name: | (1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one | | Formula: | C13 H13 N O2 | | SMILES: | O=C1Nc2ccccc2[C]34OCC[CH]3C[CH]14 | | InChi: | InChI=1S/C13H13NO2/c15-12-10-7-8-5-6-16-13(8,10)9-3-1-2-4-11(9)14-12/h1-4,8,10H,5-7H2,(H,14,15)/t8-,10+,13+/m1/s1 | | Synonyms: | (3aS,4aR,10bR)-3,3a,4,4a-tetrahydro-2H-furo[2',3':2,3]cyclobuta[1,2-c]quinolin-5(6H)-one | | Definition date: | 2022-05-09 | | Last modified: | 2022-09-23 | | Release date: | 2022-09-28 | | Identifier: | (1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one |
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 | | TI0 | | Name: | 4-nitrophenyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside | | Formula: | C14 H18 N2 O8 | | SMILES: | [O-][N+](=O)c1ccc(cc1)OC1OC(CO)C(O)C(O)C1NC(C)=O | | InChi: | InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12+,13-,14+/m1/s1 | | Definition date: | 2022-07-21 | | Last modified: | 2022-09-16 | | Release date: | 2022-09-21 | | Identifier: | 4-nitrophenyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside |
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 | | WIO | | Name: | (1R,2S)-2-[(N-{[2-(3-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | Formula: | C24 H36 F N3 O9 S | | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)Oc1cccc(F)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C24H36FN3O9S/c1-14(2)10-18(28-23(32)36-13-24(3,4)37-17-7-5-6-16(25)12-17)21(30)27-19(22(31)38(33,34)35)11-15-8-9-26-20(15)29/h5-7,12,14-15,18-19,22,31H,8-11,13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22+/m0/s1 | | Definition date: | 2022-09-13 | | Last modified: | 2022-09-16 | | Release date: | 2022-09-21 | | Identifier: | (1R,2S)-2-[(N-{[2-(3-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | WIX | | Name: | (1S,2S)-2-[(N-{[(2R)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | Formula: | C23 H34 Cl N3 O9 S | | SMILES: | Clc1cccc(c1)C(C)(O)COC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C23H34ClN3O9S/c1-13(2)9-17(27-22(31)36-12-23(3,32)15-5-4-6-16(24)11-15)20(29)26-18(21(30)37(33,34)35)10-14-7-8-25-19(14)28/h4-6,11,13-14,17-18,21,30,32H,7-10,12H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,33,34,35)/t14-,17-,18-,21-,23-/m0/s1 | | Definition date: | 2022-09-13 | | Last modified: | 2022-09-16 | | Release date: | 2022-09-21 | | Identifier: | (1S,2S)-2-[(N-{[(2R)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | WJ0 | | Name: | (1R,2S)-2-[(N-{[(2S)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propane-1-sulfonic acid | | Formula: | C23 H32 Cl N3 O9 S | | SMILES: | O=C1N=CCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC(C)(O)c1cccc(Cl)c1)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C23H32ClN3O9S/c1-13(2)9-17(27-22(31)36-12-23(3,32)15-5-4-6-16(24)11-15)20(29)26-18(21(30)37(33,34)35)10-14-7-8-25-19(14)28/h4-6,8,11,13-14,17-18,21,30,32H,7,9-10,12H2,1-3H3,(H,26,29)(H,27,31)(H,33,34,35)/t14-,17-,18-,21+,23+/m0/s1 | | Definition date: | 2022-09-13 | | Last modified: | 2022-09-16 | | Release date: | 2022-09-21 | | Identifier: | (1R,2S)-2-[(N-{[(2S)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propane-1-sulfonic acid |
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 | | WJB | | Name: | (1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | Formula: | C24 H37 N3 O10 S2 | | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)S(=O)(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C24H37N3O10S2/c1-15(2)12-18(21(29)26-19(22(30)39(34,35)36)13-16-10-11-25-20(16)28)27-23(31)37-14-24(3,4)38(32,33)17-8-6-5-7-9-17/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,34,35,36)/t16-,18-,19-,22+/m0/s1 | | Definition date: | 2022-09-13 | | Last modified: | 2022-09-16 | | Release date: | 2022-09-21 | | Identifier: | (1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | UQO | | Name: | (1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | Formula: | C24 H37 N3 O10 S2 | | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)S(=O)(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C24H37N3O10S2/c1-15(2)12-18(21(29)26-19(22(30)39(34,35)36)13-16-10-11-25-20(16)28)27-23(31)37-14-24(3,4)38(32,33)17-8-6-5-7-9-17/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,34,35,36)/t16-,18-,19-,22-/m0/s1 | | Definition date: | 2022-08-23 | | Last modified: | 2022-09-16 | | Release date: | 2022-09-21 | | Identifier: | (1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | TLR | | Name: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidine-4-carboxamide | | Formula: | C21 H19 F3 N4 O4 | | SMILES: | OC1=C(N=C(Cc2ccccc2C(F)(F)F)NC1=O)C(=O)NCCc1ccnc(OC)c1 | | InChi: | InChI=1S/C21H19F3N4O4/c1-32-16-10-12(6-8-25-16)7-9-26-19(30)17-18(29)20(31)28-15(27-17)11-13-4-2-3-5-14(13)21(22,23)24/h2-6,8,10,29H,7,9,11H2,1H3,(H,26,30)(H,27,28,31) | | Definition date: | 2022-07-27 | | Last modified: | 2022-09-16 | | Release date: | 2022-09-21 | | Identifier: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidine-4-carboxamide |
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 | | PZ7 | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Formula: | C28 H36 F3 N8 O14 P2 | | SMILES: | FC(F)(F)CNC(=O)N(C)C(C)c1cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c3ncn3ccnc43)C(O)C2O)C(O)C1O | | InChi: | InChI=1S/C28H35F3N8O14P2/c1-14(36(2)27(44)33-11-28(29,30)31)15-3-6-37(7-4-15)25-21(42)19(40)16(51-25)9-49-54(45,46)53-55(47,48)50-10-17-20(41)22(43)26(52-17)39-13-34-18-23-32-5-8-38(23)12-35-24(18)39/h3-8,12-14,16-17,19-22,25-26,40-43H,9-11H2,1-2H3,(H2-,33,44,45,46,47,48)/p+1/t14-,16+,17+,19+,20+,21+,22+,25+,26+/m0/s1 | | Definition date: | 2022-05-31 | | Last modified: | 2022-09-16 | | Release date: | 2022-09-21 | | Identifier: | 1-[(2R,3R,4S,5R)-5-({[(S)-{[(R)-({(2R,3S,4R,5R)-3,4-dihydroxy-5-[(6S)-3H-imidazo[2,1-i]purin-3-yl]oxolan-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-{(1S)-1-[N-methyl(2,2,2-trifluoroethyl)carbamamido]ethyl}pyridin-1-ium (non-preferred name) |
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 | | Q0C | | Name: | 3-(4-chlorophenyl)-N-[4-methyl-3-(pyridin-4-yl)-1H-pyrazol-5-yl]propanamide | | Formula: | C18 H17 Cl N4 O | | SMILES: | Clc1ccc(cc1)CCC(=O)Nc1[NH]nc(c2ccncc2)c1C | | InChi: | InChI=1S/C18H17ClN4O/c1-12-17(14-8-10-20-11-9-14)22-23-18(12)21-16(24)7-4-13-2-5-15(19)6-3-13/h2-3,5-6,8-11H,4,7H2,1H3,(H2,21,22,23,24) | | Definition date: | 2022-05-31 | | Last modified: | 2022-09-16 | | Release date: | 2022-09-21 | | Identifier: | 3-(4-chlorophenyl)-N-[4-methyl-3-(pyridin-4-yl)-1H-pyrazol-5-yl]propanamide |
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 | | Q0L | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R})-5-[4-[3-[3-(4-chlorophenyl)propanoylamino]-4-methyl-1~{H}-pyrazol-5-yl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Formula: | C33 H39 Cl N9 O14 P2 | | SMILES: | Clc1ccc(cc1)CCC(=O)Nc1n[NH]c(c1C)c1cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O | | InChi: | InChI=1S/C33H38ClN9O14P2/c1-16-23(40-41-30(16)39-22(44)7-4-17-2-5-19(34)6-3-17)18-8-10-42(11-9-18)32-27(47)25(45)20(55-32)12-53-58(49,50)57-59(51,52)54-13-21-26(46)28(48)33(56-21)43-15-38-24-29(35)36-14-37-31(24)43/h2-3,5-6,8-11,14-15,20-21,25-28,32-33,45-48H,4,7,12-13H2,1H3,(H5,35,36,37,39,44,49,50,51,52)/p+1/t20-,21-,25-,26-,27-,28-,32-,33-/m1/s1 | | Definition date: | 2022-05-31 | | Last modified: | 2022-09-16 | | Release date: | 2022-09-21 | | Identifier: | 1-[(2R,3R,4S,5R)-5-({[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-{3-[3-(4-chlorophenyl)propanamido]-4-methyl-1H-pyrazol-5-yl}pyridin-1-ium (non-preferred name) |
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 | | Q0U | | Name: | [[(3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]methyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Formula: | C25 H34 F3 N8 O14 P2 | | SMILES: | FC(F)(F)CNC(=O)N(C)Cc1cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O | | InChi: | InChI=1S/C25H33F3N8O14P2/c1-34(24(41)30-9-25(26,27)28)6-12-2-4-35(5-3-12)22-18(39)16(37)13(48-22)7-46-51(42,43)50-52(44,45)47-8-14-17(38)19(40)23(49-14)36-11-33-15-20(29)31-10-32-21(15)36/h2-5,10-11,13-14,16-19,22-23,37-40H,6-9H2,1H3,(H4-,29,30,31,32,41,42,43,44,45)/p+1/t13-,14-,16-,17-,18-,19-,22-,23-/m1/s1 | | Definition date: | 2022-05-31 | | Last modified: | 2022-09-16 | | Release date: | 2022-09-21 | | Identifier: | 1-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-{[N-methyl(2,2,2-trifluoroethyl)carbamamido]methyl}pyridin-1-ium (non-preferred name) |
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 | | Q1F | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Formula: | C26 H36 F3 N8 O14 P2 | | SMILES: | FC(F)(F)CNC(=O)N(C)C(C)c1cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O | | InChi: | InChI=1S/C26H35F3N8O14P2/c1-12(35(2)25(42)31-9-26(27,28)29)13-3-5-36(6-4-13)23-19(40)17(38)14(49-23)7-47-52(43,44)51-53(45,46)48-8-15-18(39)20(41)24(50-15)37-11-34-16-21(30)32-10-33-22(16)37/h3-6,10-12,14-15,17-20,23-24,38-41H,7-9H2,1-2H3,(H4-,30,31,32,33,42,43,44,45,46)/p+1/t12-,14+,15+,17+,18+,19+,20+,23+,24+/m0/s1 | | Definition date: | 2022-05-31 | | Last modified: | 2022-09-16 | | Release date: | 2022-09-21 | | Identifier: | 1-[(2R,3R,4S,5R)-5-({[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-{(1S)-1-[N-methyl(2,2,2-trifluoroethyl)carbamamido]ethyl}pyridin-1-ium (non-preferred name) |
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 | | Q1O | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Formula: | C26 H36 F3 N8 O15 P2 | | SMILES: | FC(F)(F)CNC(=O)N(C)C(C)c1cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c3NC(N)=NC4=O)C(O)C2O)C(O)C1O | | InChi: | InChI=1S/C26H35F3N8O15P2/c1-11(35(2)25(43)31-9-26(27,28)29)12-3-5-36(6-4-12)22-18(40)16(38)13(50-22)7-48-53(44,45)52-54(46,47)49-8-14-17(39)19(41)23(51-14)37-10-32-15-20(37)33-24(30)34-21(15)42/h3-6,10-11,13-14,16-19,22-23,38-41H,7-9H2,1-2H3,(H5-,30,31,33,34,42,43,44,45,46,47)/p+1/t11-,13+,14+,16+,17+,18+,19+,22+,23+/m0/s1 | | Definition date: | 2022-05-31 | | Last modified: | 2022-09-16 | | Release date: | 2022-09-21 | | Identifier: | 1-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-{(1S)-1-[N-methyl(2,2,2-trifluoroethyl)carbamamido]ethyl}pyridin-1-ium (non-preferred name) |
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 | | Q1X | | Name: | [[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Formula: | C26 H37 F3 N8 O17 P3 | | SMILES: | FC(F)(F)CNC(=O)N(C)C(C)c1cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(OP(=O)(O)O)C2O)C(O)C1O | | InChi: | InChI=1S/C26H36F3N8O17P3/c1-12(35(2)25(41)31-9-26(27,28)29)13-3-5-36(6-4-13)23-19(40)17(38)14(51-23)7-49-56(45,46)54-57(47,48)50-8-15-18(39)20(53-55(42,43)44)24(52-15)37-11-34-16-21(30)32-10-33-22(16)37/h3-6,10-12,14-15,17-20,23-24,38-40H,7-9H2,1-2H3,(H6-,30,31,32,33,41,42,43,44,45,46,47,48)/p+1/t12-,14+,15+,17+,18+,19+,20+,23+,24+/m0/s1 | | Definition date: | 2022-05-31 | | Last modified: | 2022-09-16 | | Release date: | 2022-09-21 | | Identifier: | 1-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-{(1S)-1-[N-methyl(2,2,2-trifluoroethyl)carbamamido]ethyl}pyridin-1-ium (non-preferred name) |
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 | | Q2C | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[5-[4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-1-methyl-2-oxidanylidene-quinolin-6-yl]-1,3-thiazol-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Formula: | C37 H49 N8 O16 P2 S | | SMILES: | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC([n+]3cc(sc3)c3ccc4N(C)C(=O)C=C(NC5CCC(OCCOC)CC5)c4c3)C(O)C2O)C(O)C1O | | InChi: | InChI=1S/C37H48N8O16P2S/c1-43-24-8-3-19(11-22(24)23(12-28(43)46)42-20-4-6-21(7-5-20)56-10-9-55-2)27-13-44(18-64-27)36-32(49)30(47)25(59-36)14-57-62(51,52)61-63(53,54)58-15-26-31(48)33(50)37(60-26)45-17-41-29-34(38)39-16-40-35(29)45/h3,8,11-13,16-18,20-21,25-26,30-33,36-37,47-50H,4-7,9-10,14-15H2,1-2H3,(H4-,38,39,40,42,46,51,52,53,54)/p+1/t20-,21+,25-,26-,30-,31-,32-,33-,36-,37-/m1/s1 | | Definition date: | 2022-05-31 | | Last modified: | 2022-09-16 | | Release date: | 2022-09-21 | | Identifier: | (5P)-3-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-5-(4-{[(1s,4S)-4-(2-methoxyethoxy)cyclohexyl]amino}-1-methyl-2-oxo-1,2-dihydroquinolin-6-yl)-1,3-thiazol-3-ium (non-preferred name) |
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 | | YPV | | Name: | 5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid | | Formula: | C17 H19 N O5 S | | SMILES: | Oc1ccc(cc1C(=O)O)S(=O)(=O)Nc1ccc(CCCC)cc1 | | InChi: | InChI=1S/C17H19NO5S/c1-2-3-4-12-5-7-13(8-6-12)18-24(22,23)14-9-10-16(19)15(11-14)17(20)21/h5-11,18-19H,2-4H2,1H3,(H,20,21) | | Definition date: | 2021-03-19 | | Last modified: | 2022-09-16 | | Release date: | 2022-09-21 | | Identifier: | 5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid |
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 | | YQ1 | | Name: | 1-(tripentyl-$l^{4}-azanyl)pentane | | Formula: | C20 H44 N | | SMILES: | CCCCC[N](CCCCC)(CCCCC)CCCCC | | InChi: | InChI=1S/C20H44N/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3 | | Definition date: | 2021-03-22 | | Last modified: | 2022-09-16 | | Release date: | 2022-09-21 | | Identifier: | 1-(tripentyl-$l^{4}-azanyl)pentane |
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 | | YQ4 | | Name: | (~{R})-phenyl-[4-[(tributyl-$l^{4}-azanyl)methyl]phenyl]methanol | | Formula: | C26 H40 N O | | SMILES: | CCCC[N](CCCC)(CCCC)Cc1ccc(cc1)[CH](O)c2ccccc2 | | InChi: | InChI=1S/C26H40NO/c1-4-7-19-27(20-8-5-2,21-9-6-3)22-23-15-17-25(18-16-23)26(28)24-13-11-10-12-14-24/h10-18,26,28H,4-9,19-22H2,1-3H3/t26-/m1/s1 | | Definition date: | 2021-03-22 | | Last modified: | 2022-09-16 | | Release date: | 2022-09-21 | | Identifier: | (~{R})-phenyl-[4-[(tributyl-$l^{4}-azanyl)methyl]phenyl]methanol |
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