 | | RG4 | | Name: | (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile | | Formula: | C17 H18 N6 | | SMILES: | c4(c1ncnc2nccc12)cnn(C(CC#N)C3CCCC3)c4 | | InChi: | InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m0/s1 | | Definition date: | 2020-02-12 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile |
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 | | RV2 | | Name: | 5-Chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid | | Formula: | C19 H13 Cl N2 O5 | | SMILES: | OC(=O)c1cc(Cl)ccc1NC(=O)C(=O)Nc2cccc(c2)c3cocc3 | | InChi: | InChI=1S/C19H13ClN2O5/c20-13-4-5-16(15(9-13)19(25)26)22-18(24)17(23)21-14-3-1-2-11(8-14)12-6-7-27-10-12/h1-10H,(H,21,23)(H,22,24)(H,25,26) | | Synonyms: | 5-chloranyl-2-[[2-[[3-(furan-3-yl)phenyl]amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid | | Definition date: | 2020-10-21 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | 5-chloranyl-2-[[2-[[3-(furan-3-yl)phenyl]amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid |
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 | | RZB | | Name: | (3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid | | Formula: | C17 H16 Cl N5 O3 | | SMILES: | N[CH](Cn1nnc(n1)c2ccc(Oc3ccc(Cl)cc3)cc2)CC(O)=O | | InChi: | InChI=1S/C17H16ClN5O3/c18-12-3-7-15(8-4-12)26-14-5-1-11(2-6-14)17-20-22-23(21-17)10-13(19)9-16(24)25/h1-8,13H,9-10,19H2,(H,24,25)/t13-/m1/s1 | | Definition date: | 2020-11-04 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | (3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid |
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 | | RZE | | Name: | (3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid | | Formula: | C16 H14 Cl F N6 O3 | | SMILES: | N[CH](Cn1nnc(n1)c2ccc(Oc3ncc(Cl)cc3F)cc2)CC(O)=O | | InChi: | InChI=1S/C16H14ClFN6O3/c17-10-5-13(18)16(20-7-10)27-12-3-1-9(2-4-12)15-21-23-24(22-15)8-11(19)6-14(25)26/h1-5,7,11H,6,8,19H2,(H,25,26)/t11-/m0/s1 | | Definition date: | 2020-11-04 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | (3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid |
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 | | RZK | | Name: | 2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine | | Formula: | C10 H13 N5 O | | SMILES: | COc1ccc(cc1)c2nnn(CCN)n2 | | InChi: | InChI=1S/C10H13N5O/c1-16-9-4-2-8(3-5-9)10-12-14-15(13-10)7-6-11/h2-5H,6-7,11H2,1H3 | | Definition date: | 2020-11-04 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | 2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine |
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 | | RZN | | Name: | (4-phenoxyphenyl)methanol | | Formula: | C13 H12 O2 | | SMILES: | OCc1ccc(Oc2ccccc2)cc1 | | InChi: | InChI=1S/C13H12O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9,14H,10H2 | | Definition date: | 2020-11-04 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | (4-phenoxyphenyl)methanol |
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 | | GKC | | Name: | (2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-6-(cyclohexylmethoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol | | Formula: | C19 H34 O11 | | SMILES: | OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCC3CCCCC3)O[CH]2CO)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C19H34O11/c20-6-10-12(22)13(23)15(25)19(28-10)30-17-11(7-21)29-18(16(26)14(17)24)27-8-9-4-2-1-3-5-9/h9-26H,1-8H2/t10-,11-,12-,13+,14-,15-,16-,17-,18-,19-/m1/s1 | | Definition date: | 2020-09-03 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | (2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-6-(cyclohexylmethoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
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 | | F0F | | Name: | (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenyl-cyclopropane-1-carboxamide | | Formula: | C15 H22 N2 O | | SMILES: | CCN(CC)C(=O)[C]1(C[CH]1CN)c2ccccc2 | | InChi: | InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1 | | Definition date: | 2020-03-05 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | (1~{R},2~{S})-2-(aminomethyl)-~{N},~{N}-diethyl-1-phenyl-cyclopropane-1-carboxamide |
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 | | F1U | | Name: | (1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol | | Formula: | C16 H25 N O2 | | SMILES: | COc1cccc(c1)[C]2(O)CCCC[CH]2CN(C)C | | InChi: | InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m0/s1 | | Synonyms: | (s,s)-tramadol | | Definition date: | 2020-03-13 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | (1~{S},2~{S})-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol |
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 | | MXB | | Name: | (R,E)-2-(hydroxyimino)-N-(3-(4-((2-methyl-1H-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-1-phenylpropyl)acetamide | | Formula: | C18 H21 N7 O2 | | SMILES: | Cc1nccn1Cc2cn(CC[CH](NC(=O)C=NO)c3ccccc3)nn2 | | InChi: | InChI=1S/C18H21N7O2/c1-14-19-8-10-24(14)12-16-13-25(23-22-16)9-7-17(21-18(26)11-20-27)15-5-3-2-4-6-15/h2-6,8,10-11,13,17,27H,7,9,12H2,1H3,(H,21,26)/b20-11+/t17-/m1/s1 | | Synonyms: | (2~{E})-2-hydroxyimino-~{N}-[(1~{R})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamide | | Definition date: | 2019-10-28 | | Last modified: | 2021-02-12 | | Release date: | 2020-07-15 | | Identifier: | (2~{E})-2-hydroxyimino-~{N}-[(1~{R})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamide |
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 | | LXY | | Name: | (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide | | Formula: | C24 H19 F8 N5 O3 S | | SMILES: | CC3N(C(C(NCc2cc(c1cnc(C(F)(F)F)nc1)ncc2C(F)(F)F)=O)CC3F)S(c4ccc(cc4)F)(=O)=O | | InChi: | InChI=1S/C24H19F8N5O3S/c1-12-18(26)7-20(37(12)41(39,40)16-4-2-15(25)3-5-16)21(38)34-8-13-6-19(33-11-17(13)23(27,28)29)14-9-35-22(36-10-14)24(30,31)32/h2-6,9-12,18,20H,7-8H2,1H3,(H,34,38)/t12-,18+,20-/m0/s1 | | Definition date: | 2020-04-13 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide |
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 | | OKE | | Name: | 2-(hydroxymethyl)-6-methoxy-phenol | | Formula: | C8 H10 O3 | | SMILES: | COc1cccc(CO)c1O | | InChi: | InChI=1S/C8H10O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4,9-10H,5H2,1H3 | | Synonyms: | o-vanillin | | Definition date: | 2020-03-18 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | 2-(hydroxymethyl)-6-methoxy-phenol |
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 | | NWS | | Name: | Moco-AMP | | Formula: | C20 H26 Mo N10 O15 P2 S2 | | SMILES: | NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C7=C3S[Mo](O)(O)(=O)S7)C(=O)N1 | | InChi: | InChI=1S/C20H26N10O12P2S2.Mo.2H2O.O/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15 | | Definition date: | 2018-12-03 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(1~{R},10~{R},16~{R})-5-azanyl-13,13-bis(oxidanyl)-7,13-bis(oxidanylidene)-17-oxa-12,14-dithia-2,4,6,9-tetraza-13$l^{6}-molybdatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4,11(15)-trien-16-yl]methyl hydrogen phosphate |
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 | | O5Z | | Name: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide | | Formula: | C19 H22 Br N3 O3 | | SMILES: | N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3oc(Br)cc3 | | InChi: | InChI=1S/C19H22BrN3O3/c20-17-9-8-14(26-17)12-22-18(24)16-7-4-10-23(16)19(25)15(21)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,15-16H,4,7,10-12,21H2,(H,22,24)/t15-,16+/m1/s1 | | Definition date: | 2020-02-10 | | Last modified: | 2021-02-12 | | Release date: | 2021-02-17 | | Identifier: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide |
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 | | Q9E | | Name: | (5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide | | Formula: | C23 H30 N4 O6 S | | SMILES: | CN(C)C(=O)[CH]1CSCc2ccccc2C(=O)OC[CH](NC(=O)[CH]3CCCN3C(C)=O)C(=O)N1 | | InChi: | InChI=1S/C23H30N4O6S/c1-14(28)27-10-6-9-19(27)21(30)24-17-11-33-23(32)16-8-5-4-7-15(16)12-34-13-18(25-20(17)29)22(31)26(2)3/h4-5,7-8,17-19H,6,9-13H2,1-3H3,(H,24,30)(H,25,29)/t17-,18-,19+/m1/s1 | | Synonyms: | (5~{S},8~{R})-8-[[(2~{S})-1-ethanoyl-2,3-dihydropyrrol-2-yl]carbonylamino]-~{N},~{N}-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide | | Definition date: | 2020-05-28 | | Last modified: | 2021-02-07 | | Release date: | 2020-12-30 | | Identifier: | (5~{S},8~{R})-8-[[(2~{S})-1-ethanoylpyrrolidin-2-yl]carbonylamino]-~{N},~{N}-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide |
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 | | Y24 | | Name: | 1,1',1'',1''',1''''-[(3R,5S,7S,9R)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one) | | Formula: | C30 H47 N5 O5 | | SMILES: | CC(N1CCCC1=O)CC(CC(CC(N2CCCC2=O)CCN3CCCC3=O)N4C(=O)CCC4)N5CCCC5=O | | InChi: | InChI=1S/C30H47N5O5/c1-22(32-14-3-8-27(32)37)19-24(34-16-5-10-29(34)39)21-25(35-17-6-11-30(35)40)20-23(33-15-4-9-28(33)38)12-18-31-13-2-7-26(31)36/h22-25H,2-21H2,1H3/t22-,23-,24+,25+/m1/s1 | | Definition date: | 2021-01-27 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | 1,1',1'',1''',1''''-[(3R,5S,7S,9R)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one) |
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 | | UF4 | | Name: | 4-(3-{[(2S)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3H-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine | | Formula: | C26 H25 N5 O3 | | SMILES: | CC(N)(C#Cc1cnc2n(cnc2c1)Cc3cc4c(cc3)OC(CO4)c5cnc(cc5)OC)C | | InChi: | InChI=1S/C26H25N5O3/c1-26(2,27)9-8-17-10-20-25(29-12-17)31(16-30-20)14-18-4-6-21-22(11-18)33-15-23(34-21)19-5-7-24(32-3)28-13-19/h4-7,10-13,16,23H,14-15,27H2,1-3H3/t23-/m1/s1 | | Definition date: | 2020-05-14 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | 4-(3-{[(2S)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3H-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine |
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 | | XGD | | Name: | 4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide | | Formula: | C33 H32 N6 O5 S | | SMILES: | N(C(=O)c1ccccc1n2nccn2)CCc5cc(NS(c4cc(c3cc(C(=O)N(C)C)ccc3)ccc4OC)(=O)=O)ccc5 | | InChi: | InChI=1S/C33H32N6O5S/c1-38(2)33(41)26-10-7-9-24(21-26)25-14-15-30(44-3)31(22-25)45(42,43)37-27-11-6-8-23(20-27)16-17-34-32(40)28-12-4-5-13-29(28)39-35-18-19-36-39/h4-15,18-22,37H,16-17H2,1-3H3,(H,34,40) | | Definition date: | 2020-12-16 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | 4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide |
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 | | R1D | | Name: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide | | Formula: | C21 H18 F3 N3 O5 | | SMILES: | COc1c(ccc(c1)CCNC(C=3N=C(c2ccccc2C(F)(F)F)NC(C=3O)=O)=O)O | | InChi: | InChI=1S/C21H18F3N3O5/c1-32-15-10-11(6-7-14(15)28)8-9-25-19(30)16-17(29)20(31)27-18(26-16)12-4-2-3-5-13(12)21(22,23)24/h2-7,10,28-29H,8-9H2,1H3,(H,25,30)(H,26,27,31) | | Definition date: | 2020-01-23 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide |
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 | | R7J | | Name: | [5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid | | Formula: | C16 H11 F O3 | | SMILES: | c2cc1c(c(CC(O)=O)co1)cc2c3cccc(c3)F | | InChi: | InChI=1S/C16H11FO3/c17-13-3-1-2-10(6-13)11-4-5-15-14(7-11)12(9-20-15)8-16(18)19/h1-7,9H,8H2,(H,18,19) | | Definition date: | 2020-02-06 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | [5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid |
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 | | R7P | | Name: | 2-({4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl}amino)-9-methyl-5,7-dihydro-6H-pyrimido[5,4-d][1,3]benzodiazepin-6-one | | Formula: | C25 H29 N7 O2 | | SMILES: | COc1cc(ccc1Nc4ncc3NC(=O)Nc2cc(C)ccc2c3n4)N5CC(C)NC(C)C5 | | InChi: | InChI=1S/C25H29N7O2/c1-14-5-7-18-20(9-14)29-25(33)30-21-11-26-24(31-23(18)21)28-19-8-6-17(10-22(19)34-4)32-12-15(2)27-16(3)13-32/h5-11,15-16,27H,12-13H2,1-4H3,(H,26,28,31)(H2,29,30,33)/t15-,16+ | | Definition date: | 2020-02-06 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | 2-({4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl}amino)-9-methyl-5,7-dihydro-6H-pyrimido[5,4-d][1,3]benzodiazepin-6-one |
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 | | RJB | | Name: | 2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid | | Formula: | C20 H18 N2 O3 S | | SMILES: | OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc3sc4ccccc4n3 | | InChi: | InChI=1S/C20H18N2O3S/c23-18(24)11-20(9-13-5-1-2-6-14(13)10-20)19(25)21-12-17-22-15-7-3-4-8-16(15)26-17/h1-8H,9-12H2,(H,21,25)(H,23,24) | | Definition date: | 2020-09-30 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | 2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid |
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 | | SR5 | | Name: | (2~{S})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid | | Formula: | C27 H27 Cl N4 O5 | | SMILES: | COc1cccc(OC)c1c2cc(nn2c3ccnc4cc(Cl)ccc34)C(=O)N[CH](CC(C)C)C(O)=O | | InChi: | InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1 | | Definition date: | 2020-06-08 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | (2~{S})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid |
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 | | SR9 | | Name: | (2~{S})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid | | Formula: | C24 H23 N3 O5 S | | SMILES: | CC(C)C[CH](NC(=O)c1cn(c2ccccc12)[S](=O)(=O)c3cccc4cccnc34)C(O)=O | | InChi: | InChI=1S/C24H23N3O5S/c1-15(2)13-19(24(29)30)26-23(28)18-14-27(20-10-4-3-9-17(18)20)33(31,32)21-11-5-7-16-8-6-12-25-22(16)21/h3-12,14-15,19H,13H2,1-2H3,(H,26,28)(H,29,30)/t19-/m0/s1 | | Definition date: | 2020-06-04 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | (2~{S})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid |
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 | | GE0 | | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(2-oxidanylideneheptadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate | | Formula: | C38 H68 N7 O17 P3 S | | SMILES: | CCCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 | | InChi: | InChI=1S/C38H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(46)23-66-21-20-40-29(47)18-19-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-22-28-32(61-63(51,52)53)31(48)37(60-28)45-26-44-30-34(39)42-25-43-35(30)45/h25-26,28,31-33,37,48-49H,4-24H2,1-3H3,(H,40,47)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t28-,31-,32-,33+,37-/m1/s1 | | Definition date: | 2020-08-20 | | Last modified: | 2021-02-05 | | Release date: | 2021-02-10 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(2-oxidanylideneheptadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate |
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