 | | A4Y | | Name: | (2S,3S)-2,3-dihydroxy-3-[(7S,8R,9aS)-8-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2,7-dimethyl-5,7,8,10-tetrahydro-9aH-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-9a-yl]-2-methylbutanoic acid | | Formula: | C17 H28 N4 O11 P2 S | | SMILES: | C(CC3C(N2Cc1cnc(C)nc1NC2(C(O)(C(O)(C(O)=O)C)C)S3)C)OP(O)(=O)OP(O)(O)=O | | InChi: | InChI=1S/C17H28N4O11P2S/c1-9-12(5-6-31-34(29,30)32-33(26,27)28)35-17(16(4,25)15(3,24)14(22)23)20-13-11(8-21(9)17)7-18-10(2)19-13/h7,9,12,24-25H,5-6,8H2,1-4H3,(H,22,23)(H,29,30)(H,18,19,20)(H2,26,27,28)/t9-,12+,15+,16-,17-/m0/s1 | | Definition date: | 2017-07-06 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | (2S,3S)-2,3-dihydroxy-3-[(7S,8R,9aS)-8-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2,7-dimethyl-5,7,8,10-tetrahydro-9aH-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-9a-yl]-2-methylbutanoic acid |
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 | | A5X | | Name: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-hydroxy-1-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]ethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium | | Formula: | C14 H24 N4 O10 P3 S | | SMILES: | OP(=O)(O)OP(OCCc1c([n+](c(s1)C(P(O)=O)(C)O)Cc2cnc(nc2N)C)C)(O)=O | | InChi: | InChI=1S/C14H23N4O10P3S/c1-8-11(4-5-27-31(25,26)28-30(22,23)24)32-13(14(3,19)29(20)21)18(8)7-10-6-16-9(2)17-12(10)15/h6,19,29H,4-5,7H2,1-3H3,(H5-,15,16,17,20,21,22,23,24,25,26)/p+1/t14-/m0/s1 | | Definition date: | 2018-02-19 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-hydroxy-1-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]ethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium |
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 | | BY7 | | Name: | 6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine | | Formula: | C20 H26 F3 N3 | | SMILES: | FC(F)(F)c1cc(CCCN(C)C)cc(c1)CCc2nc(N)cc(c2)C | | InChi: | InChI=1S/C20H26F3N3/c1-14-9-18(25-19(24)10-14)7-6-16-11-15(5-4-8-26(2)3)12-17(13-16)20(21,22)23/h9-13H,4-8H2,1-3H3,(H2,24,25) | | Definition date: | 2017-09-05 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | 6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine |
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 | | BYJ | | Name: | 4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine | | Formula: | C18 H25 N3 | | SMILES: | Nc1cc(C)cc(n1)CCc2cccc(c2)CCCNC | | InChi: | InChI=1S/C18H25N3/c1-14-11-17(21-18(19)12-14)9-8-16-6-3-5-15(13-16)7-4-10-20-2/h3,5-6,11-13,20H,4,7-10H2,1-2H3,(H2,19,21) | | Definition date: | 2017-09-05 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | 4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine |
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 | | BYV | | Name: | 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile | | Formula: | C19 H24 N4 | | SMILES: | N#Cc1cc(CCCNC)cc(c1)CCc2nc(N)cc(c2)C | | InChi: | InChI=1S/C19H24N4/c1-14-8-18(23-19(21)9-14)6-5-16-10-15(4-3-7-22-2)11-17(12-16)13-20/h8-12,22H,3-7H2,1-2H3,(H2,21,23) | | Definition date: | 2017-09-05 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile |
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 | | T1O | | Name: | 5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-oxopropyl)pentanamide | | Formula: | C13 H21 N3 O3 S | | SMILES: | O=C2NC1C(SCC1N2)CCCCC(=O)NCC(=O)C | | InChi: | InChI=1S/C13H21N3O3S/c1-8(17)6-14-11(18)5-3-2-4-10-12-9(7-20-10)15-13(19)16-12/h9-10,12H,2-7H2,1H3,(H,14,18)(H2,15,16,19)/t9-,10+,12-/m0/s1 | | Definition date: | 2017-07-08 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | 5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-oxopropyl)pentanamide |
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 | | O84 | | Name: | [(2~{R},4~{a}~{R},6~{R},7~{a}~{R})-6-[2,4-bis(oxidanylidene)-5-[(~{E})-3-phosphonoprop-1-enyl]pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid | | Formula: | C19 H22 N2 O11 P2 | | SMILES: | O[P](O)(=O)CC=CC1=CN([CH]2C[CH]3O[C](OC[CH]3O2)(c4ccccc4)[P](O)(O)=O)C(=O)NC1=O | | InChi: | InChI=1S/C19H22N2O11P2/c22-17-12(5-4-8-33(24,25)26)10-21(18(23)20-17)16-9-14-15(31-16)11-30-19(32-14,34(27,28)29)13-6-2-1-3-7-13/h1-7,10,14-16H,8-9,11H2,(H,20,22,23)(H2,24,25,26)(H2,27,28,29)/b5-4+/t14-,15-,16-,19-/m1/s1 | | Definition date: | 2018-03-23 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | [(2~{R},4~{a}~{R},6~{R},7~{a}~{R})-6-[2,4-bis(oxidanylidene)-5-[(~{E})-3-phosphonoprop-1-enyl]pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid |
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 | | 8U8 | | Name: | (2~{R},3~{S},4~{S},5~{R},6~{S})-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid | | Formula: | C16 H16 O9 | | SMILES: | CC1=CC(=O)Oc2cc(O[CH]3O[CH]([CH](O)[CH](O)[CH]3O)C(O)=O)ccc12 | | InChi: | InChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14+,16+/m0/s1 | | Definition date: | 2017-03-09 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{S})-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid |
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 | | 8V9 | | Name: | (4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide | | Formula: | C37 H44 N4 O7 S2 | | SMILES: | CSC[CH](NC(=O)Cc1ccc(O)cc1)C(=O)N[CH](Cc2ccccc2)[CH](O)C(=O)N3CSC(C)(C)[CH]3C(=O)N[CH]4[CH](O)Cc5ccccc45 | | InChi: | InChI=1S/C37H44N4O7S2/c1-37(2)33(35(47)40-31-26-12-8-7-11-24(26)19-29(31)43)41(21-50-37)36(48)32(45)27(17-22-9-5-4-6-10-22)39-34(46)28(20-49-3)38-30(44)18-23-13-15-25(42)16-14-23/h4-16,27-29,31-33,42-43,45H,17-21H2,1-3H3,(H,38,44)(H,39,46)(H,40,47)/t27-,28-,29+,31-,32-,33+/m0/s1 | | Definition date: | 2017-10-04 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | (4~{R})-3-[(2~{S},3~{S})-3-[[(2~{R})-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-~{N}-[(1~{S},2~{R})-2-oxidanyl-2,3-dihydro-1~{H}-inden-1-yl]-1,3-thiazolidine-4-carboxamide |
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 | | 8VC | | Name: | (4R)-3-[(2S,3S)-3-[2-[4-[2-(dimethylamino)ethyl-methyl-amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide | | Formula: | C40 H53 N5 O6 S | | SMILES: | CN(C)CCN(C)c1cc(C)c(OCC(=O)N[CH](Cc2ccccc2)[CH](O)C(=O)N3CSC(C)(C)[CH]3C(=O)N[CH]4[CH](O)Cc5ccccc45)c(C)c1 | | InChi: | InChI=1S/C40H53N5O6S/c1-25-19-29(44(7)18-17-43(5)6)20-26(2)36(25)51-23-33(47)41-31(21-27-13-9-8-10-14-27)35(48)39(50)45-24-52-40(3,4)37(45)38(49)42-34-30-16-12-11-15-28(30)22-32(34)46/h8-16,19-20,31-32,34-35,37,46,48H,17-18,21-24H2,1-7H3,(H,41,47)(H,42,49)/t31-,32+,34-,35-,37+/m0/s1 | | Definition date: | 2017-10-04 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | (4~{R})-3-[(2~{S},3~{S})-3-[2-[4-[2-(dimethylamino)ethyl-methyl-amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-~{N}-[(1~{S},2~{R})-2-oxidanyl-2,3-dihydro-1~{H}-inden-1-yl]-1,3-thiazolidine-4-carboxamide |
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 | | 8VF | | Name: | (4R)-3-[(2S,3S)-3-[2-[4-[2-azanylethyl(ethyl)amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide | | Formula: | C39 H51 N5 O6 S | | SMILES: | CCN(CCN)c1cc(C)c(OCC(=O)N[CH](Cc2ccccc2)[CH](O)C(=O)N3CSC(C)(C)[CH]3C(=O)N[CH]4[CH](O)Cc5ccccc45)c(C)c1 | | InChi: | InChI=1S/C39H51N5O6S/c1-6-43(17-16-40)28-18-24(2)35(25(3)19-28)50-22-32(46)41-30(20-26-12-8-7-9-13-26)34(47)38(49)44-23-51-39(4,5)36(44)37(48)42-33-29-15-11-10-14-27(29)21-31(33)45/h7-15,18-19,30-31,33-34,36,45,47H,6,16-17,20-23,40H2,1-5H3,(H,41,46)(H,42,48)/t30-,31+,33-,34-,36+/m0/s1 | | Definition date: | 2017-10-04 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | (4~{R})-3-[(2~{S},3~{S})-3-[2-[4-[2-azanylethyl(ethyl)amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-~{N}-[(1~{S},2~{R})-2-oxidanyl-2,3-dihydro-1~{H}-inden-1-yl]-1,3-thiazolidine-4-carboxamide |
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 | | 8VO | | Name: | (4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-aminophenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide | | Formula: | C37 H45 N5 O6 S2 | | SMILES: | CSC[CH](NC(=O)Cc1ccc(N)cc1)C(=O)N[CH](Cc2ccccc2)[CH](O)C(=O)N3CSC(C)(C)[CH]3C(=O)N[CH]4[CH](O)Cc5ccccc45 | | InChi: | InChI=1S/C37H45N5O6S2/c1-37(2)33(35(47)41-31-26-12-8-7-11-24(26)19-29(31)43)42(21-50-37)36(48)32(45)27(17-22-9-5-4-6-10-22)40-34(46)28(20-49-3)39-30(44)18-23-13-15-25(38)16-14-23/h4-16,27-29,31-33,43,45H,17-21,38H2,1-3H3,(H,39,44)(H,40,46)(H,41,47)/t27-,28-,29+,31-,32-,33+/m0/s1 | | Definition date: | 2017-10-04 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | (4~{R})-3-[(2~{S},3~{S})-3-[[(2~{R})-2-[2-(4-aminophenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-~{N}-[(1~{S},2~{R})-2-oxidanyl-2,3-dihydro-1~{H}-inden-1-yl]-1,3-thiazolidine-4-carboxamide |
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 | | 8YO | | Name: | 7-methoxy-1-benzofuran-2-carboxylic acid | | Formula: | C10 H8 O4 | | SMILES: | COc1cccc2cc(oc12)C(O)=O | | InChi: | InChI=1S/C10H8O4/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5H,1H3,(H,11,12) | | Definition date: | 2017-11-09 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | 7-methoxy-1-benzofuran-2-carboxylic acid |
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 | | 8YR | | Name: | (2S)-2-azanyl-2-[(3R)-oxolan-3-yl]ethanoic acid | | Formula: | C6 H11 N O3 | | SMILES: | N[CH]([CH]1CCOC1)C(O)=O | | InChi: | InChI=1S/C6H11NO3/c7-5(6(8)9)4-1-2-10-3-4/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m0/s1 | | Definition date: | 2017-11-09 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | (2~{S})-2-azanyl-2-[(3~{R})-oxolan-3-yl]ethanoic acid |
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 | | 8YU | | Name: | (2,6-dimethylphenyl)methanamine | | Formula: | C9 H13 N | | SMILES: | Cc1cccc(C)c1CN | | InChi: | InChI=1S/C9H13N/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,6,10H2,1-2H3 | | Definition date: | 2017-11-09 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | (2,6-dimethylphenyl)methanamine |
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 | | W68 | | Name: | 6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine | | Formula: | C18 H24 F N3 | | SMILES: | Fc2cc(CCc1cc(cc(n1)N)C)cc(c2)CCCNC | | InChi: | InChI=1S/C18H24FN3/c1-13-8-17(22-18(20)9-13)6-5-15-10-14(4-3-7-21-2)11-16(19)12-15/h8-12,21H,3-7H2,1-2H3,(H2,20,22) | | Definition date: | 2017-09-05 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | 6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine |
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 | | W69 | | Name: | 6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine | | Formula: | C19 H26 F N3 | | SMILES: | Fc1cc(cc(c1)CCCN(C)C)CCc2cc(cc(n2)N)C | | InChi: | InChI=1S/C19H26FN3/c1-14-9-18(22-19(21)10-14)7-6-16-11-15(12-17(20)13-16)5-4-8-23(2)3/h9-13H,4-8H2,1-3H3,(H2,21,22) | | Definition date: | 2017-09-05 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | 6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine |
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 | | W79 | | Name: | 4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine | | Formula: | C21 H24 N4 | | SMILES: | Nc1nc(cc(c1)C)CCc2cc(cnc2)c3cccc(c3)CNC | | InChi: | InChI=1S/C21H24N4/c1-15-8-20(25-21(22)9-15)7-6-17-11-19(14-24-13-17)18-5-3-4-16(10-18)12-23-2/h3-5,8-11,13-14,23H,6-7,12H2,1-2H3,(H2,22,25) | | Definition date: | 2017-09-05 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | 4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine |
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 | | W80 | | Name: | 4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine | | Formula: | C21 H24 N4 | | SMILES: | Nc1nc(cc(c1)C)CCc2cc(cnc2)c3ccc(CNC)cc3 | | InChi: | InChI=1S/C21H24N4/c1-15-9-20(25-21(22)10-15)8-5-17-11-19(14-24-13-17)18-6-3-16(4-7-18)12-23-2/h3-4,6-7,9-11,13-14,23H,5,8,12H2,1-2H3,(H2,22,25) | | Definition date: | 2017-09-05 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | 4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine |
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 | | W82 | | Name: | 6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine | | Formula: | C22 H24 F N3 | | SMILES: | c1(nc(cc(c1)C)CCc2cc(cc(c2)F)c3cc(ccc3)CNC)N | | InChi: | InChI=1S/C22H24FN3/c1-15-8-21(26-22(24)9-15)7-6-16-10-19(13-20(23)12-16)18-5-3-4-17(11-18)14-25-2/h3-5,8-13,25H,6-7,14H2,1-2H3,(H2,24,26) | | Definition date: | 2017-09-05 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | 6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine |
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 | | DUH | | Name: | 2-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide | | Formula: | C20 H11 F4 N3 O2 | | SMILES: | Oc1nn2ccccc2c1C(=O)Nc3c(F)c(F)c(c(F)c3F)c4ccccc4 | | InChi: | InChI=1S/C20H11F4N3O2/c21-14-12(10-6-2-1-3-7-10)15(22)17(24)18(16(14)23)25-19(28)13-11-8-4-5-9-27(11)26-20(13)29/h1-9H,(H,25,28)(H,26,29) | | Definition date: | 2018-01-31 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | 2-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide |
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 | | E4Z | | Name: | Baloxavir acid | | Formula: | C24 H19 F2 N3 O4 S | | SMILES: | OC1=C2N(C=CC1=O)N([CH]3COCCN3C2=O)[CH]4c5ccc(F)c(F)c5CSc6ccccc46 | | InChi: | InChI=1S/C24H19F2N3O4S/c25-16-6-5-13-15(20(16)26)12-34-18-4-2-1-3-14(18)21(13)29-19-11-33-10-9-27(19)24(32)22-23(31)17(30)7-8-28(22)29/h1-8,19,21,31H,9-12H2/t19-,21+/m1/s1 | | Definition date: | 2018-02-19 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | (3~{R})-2-[(11~{S})-7,8-bis(fluoranyl)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-11-oxidanyl-5-oxa-1,2,8-triazatricyclo[8.4.0.0^{3,8}]tetradeca-10,13-diene-9,12-dione |
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 | | EJ8 | | Name: | [(2~{R},4~{a}~{R},6~{R},7~{a}~{R})-6-[2,4-bis(oxidanylidene)-5-(phosphonomethylsulfanylmethyl)pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid | | Formula: | C18 H22 N2 O11 P2 S | | SMILES: | O[P](O)(=O)CSCC1=CN([CH]2C[CH]3O[C](OC[CH]3O2)(c4ccccc4)[P](O)(O)=O)C(=O)NC1=O | | InChi: | InChI=1S/C18H22N2O11P2S/c21-16-11(9-34-10-32(23,24)25)7-20(17(22)19-16)15-6-13-14(30-15)8-29-18(31-13,33(26,27)28)12-4-2-1-3-5-12/h1-5,7,13-15H,6,8-10H2,(H,19,21,22)(H2,23,24,25)(H2,26,27,28)/t13-,14-,15-,18-/m1/s1 | | Definition date: | 2018-03-23 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | [(2~{R},4~{a}~{R},6~{R},7~{a}~{R})-6-[2,4-bis(oxidanylidene)-5-(phosphonomethylsulfanylmethyl)pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid |
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 | | EXE | | Name: | (2~{R},3~{S},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | | Formula: | C24 H31 F N4 O4 S | | SMILES: | CC(=O)N[CH](C(=O)N1C[CH](O)[CH](F)[CH]1C(=O)NCc2ccc(cc2)c3scnc3C)C(C)(C)C | | InChi: | InChI=1S/C24H31FN4O4S/c1-13-20(34-12-27-13)16-8-6-15(7-9-16)10-26-22(32)19-18(25)17(31)11-29(19)23(33)21(24(3,4)5)28-14(2)30/h6-9,12,17-19,21,31H,10-11H2,1-5H3,(H,26,32)(H,28,30)/t17-,18+,19-,21+/m0/s1 | | Definition date: | 2018-05-03 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | (2~{R},3~{S},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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 | | EXH | | Name: | (2~{R},3~{R},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | | Formula: | C24 H31 F N4 O4 S | | SMILES: | CC(=O)N[CH](C(=O)N1C[CH](O)[CH](F)[CH]1C(=O)NCc2ccc(cc2)c3scnc3C)C(C)(C)C | | InChi: | InChI=1S/C24H31FN4O4S/c1-13-20(34-12-27-13)16-8-6-15(7-9-16)10-26-22(32)19-18(25)17(31)11-29(19)23(33)21(24(3,4)5)28-14(2)30/h6-9,12,17-19,21,31H,10-11H2,1-5H3,(H,26,32)(H,28,30)/t17-,18-,19-,21+/m0/s1 | | Definition date: | 2018-05-03 | | Last modified: | 2018-07-06 | | Release date: | 2018-07-11 | | Identifier: | (2~{R},3~{R},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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