 | KDW | Name: | ~{N}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide | Formula: | C54 H58 N8 O6 | SMILES: | CC(=O)NCCNCc1cc(C)c(OCc2cccc(c2C)c3cccc(COc4cc(OCc5cncc(c5)C#N)c(CNCCNC(C)=O)cc4C)c3C)cc1OCc6cncc(c6)C#N | InChi: | InChI=1S/C54H58N8O6/c1-35-17-47(29-57-13-15-61-39(5)63)53(65-31-43-19-41(23-55)25-59-27-43)21-51(35)67-33-45-9-7-11-49(37(45)3)50-12-8-10-46(38(50)4)34-68-52-22-54(66-32-44-20-42(24-56)26-60-28-44)48(18-36(52)2)30-58-14-16-62-40(6)64/h7-12,17-22,25-28,57-58H,13-16,29-34H2,1-6H3,(H,61,63)(H,62,64) | Definition date: | 2019-05-14 | Last modified: | 2019-07-19 | Release date: | 2019-07-24 | Identifier: | ~{N}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide |
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 | 7H6 | Name: | (1S,4S,5S,9S)-9-hydroxy-8-methyl-4-(propan-2-yl)spiro[4.5]dec-7-ene-1-carboxylic acid | Formula: | C15 H24 O3 | SMILES: | C12(C(CCC1C(C)C)C(O)=O)CC(O)C(C)=CC2 | InChi: | InChI=1S/C15H24O3/c1-9(2)11-4-5-12(14(17)18)15(11)7-6-10(3)13(16)8-15/h6,9,11-13,16H,4-5,7-8H2,1-3H3,(H,17,18)/t11-,12+,13-,15-/m0/s1 | Definition date: | 2016-10-25 | Last modified: | 2019-07-19 | Release date: | 2019-07-24 | Identifier: | (1S,4S,5S,9S)-9-hydroxy-8-methyl-4-(propan-2-yl)spiro[4.5]dec-7-ene-1-carboxylic acid |
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 | 9T0 | Name: | 5-[(2R,3R)-2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-[oxidanyl-[[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]methyl]phosphoryl]oxy-propoxy]-5-oxidanylidene-pentanoic acid | Formula: | C25 H25 Cl2 F3 N3 O11 P | SMILES: | OC(=O)CCCC(OCC(NC(C(Cl)Cl)=O)C(c1ccc([N+]([O-])=O)cc1)OP(Cc2ccc(cc2)NC(C(F)(F)F)=O)(O)=O)=O | InChi: | InChI=1S/C25H25Cl2F3N3O11P/c26-22(27)23(37)32-18(12-43-20(36)3-1-2-19(34)35)21(15-6-10-17(11-7-15)33(39)40)44-45(41,42)13-14-4-8-16(9-5-14)31-24(38)25(28,29)30/h4-11,18,21-22H,1-3,12-13H2,(H,31,38)(H,32,37)(H,34,35)(H,41,42)/t18-,21-/m1/s1 | Definition date: | 2018-07-21 | Last modified: | 2019-07-19 | Release date: | 2019-07-24 | Identifier: | 5-{[(2R,3R)-2-[(dichloroacetyl)amino]-3-{[(R)-hydroxy({4-[(trifluoroacetyl)amino]phenyl}methyl)phosphoryl]oxy}-3-(4-nitrophenyl)propyl]oxy}-5-oxopentanoic acid |
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 | HLA | Name: | 1,5-anhydro-4,6-O-[(1R)-1-carboxyethylidene]-D-galactitol | Formula: | C9 H14 O7 | SMILES: | C12OC(C)(C(=O)O)OCC1OCC(C2O)O | InChi: | InChI=1S/C9H14O7/c1-9(8(12)13)15-3-5-7(16-9)6(11)4(10)2-14-5/h4-7,10-11H,2-3H2,1H3,(H,12,13)/t4-,5+,6+,7-,9+/m0/s1 | Definition date: | 2018-07-10 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | 1,5-anhydro-4,6-O-[(1R)-1-carboxyethylidene]-D-galactitol |
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 | HNS | Name: | 3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Formula: | C13 H11 N O4 | SMILES: | O=C(O)C=1NC(=CC(C=1O)=O)c2ccccc2C | InChi: | InChI=1S/C13H11NO4/c1-7-4-2-3-5-8(7)9-6-10(15)12(16)11(14-9)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18) | Definition date: | 2018-07-16 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | 3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
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 | HNY | Name: | 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Formula: | C14 H13 N O4 | SMILES: | O=C(O)C=1NC(=CC(C=1O)=O)c2c(cccc2)CC | InChi: | InChI=1S/C14H13NO4/c1-2-8-5-3-4-6-9(8)10-7-11(16)13(17)12(15-10)14(18)19/h3-7,17H,2H2,1H3,(H,15,16)(H,18,19) | Definition date: | 2018-07-16 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
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 | HO1 | Name: | 3-hydroxy-4-oxo-6-[3-(1H-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid | Formula: | C13 H9 N5 O4 | SMILES: | OC(=O)C=1NC(=CC(C=1O)=O)c2cccc(c2)c3nnnn3 | InChi: | InChI=1S/C13H9N5O4/c19-9-5-8(14-10(11(9)20)13(21)22)6-2-1-3-7(4-6)12-15-17-18-16-12/h1-5,20H,(H,14,19)(H,21,22)(H,15,16,17,18) | Definition date: | 2018-07-16 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | 3-hydroxy-4-oxo-6-[3-(1H-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid |
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 | HOG | Name: | 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Formula: | C13 H9 N O6 | SMILES: | OC(c1cccc(c1)C=2NC(C(O)=O)=C(O)C(C=2)=O)=O | InChi: | InChI=1S/C13H9NO6/c15-9-5-8(14-10(11(9)16)13(19)20)6-2-1-3-7(4-6)12(17)18/h1-5,16H,(H,14,15)(H,17,18)(H,19,20) | Definition date: | 2018-07-16 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
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 | HQ7 | Name: | 5-[(5R)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]-5-oxopentanoic acid | Formula: | C26 H30 F N3 O5 | SMILES: | c1c(OC)nc4c(c1)C(C(=O)Nc3cc2CCC(c2c(c3)F)(C)C)N(CC4)C(CCCC(O)=O)=O | InChi: | InChI=1S/C26H30FN3O5/c1-26(2)11-9-15-13-16(14-18(27)23(15)26)28-25(34)24-17-7-8-20(35-3)29-19(17)10-12-30(24)21(31)5-4-6-22(32)33/h7-8,13-14,24H,4-6,9-12H2,1-3H3,(H,28,34)(H,32,33)/t24-/m1/s1 | Definition date: | 2018-07-16 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | 5-[(5R)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]-5-oxopentanoic acid |
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 | HRJ | Name: | 3-hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Formula: | C15 H11 N3 O6 | SMILES: | O=C(O)C=1NC(=CC(C=1O)=O)c2ccc(cc2C)C3=NOC(=O)N3 | InChi: | InChI=1S/C15H11N3O6/c1-6-4-7(13-17-15(23)24-18-13)2-3-8(6)9-5-10(19)12(20)11(16-9)14(21)22/h2-5,20H,1H3,(H,16,19)(H,21,22)(H,17,18,23) | Definition date: | 2018-07-18 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | 3-hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
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 | B0L | Name: | 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one | Formula: | C22 H25 N O3 | SMILES: | c1ccccc1C=2C(=C(C(C(C)CCCC=[C@H]C=[C@H]C)=O)C(=O)NC=2)O | InChi: | InChI=1S/C22H25NO3/c1-3-4-5-6-7-9-12-16(2)20(24)19-21(25)18(15-23-22(19)26)17-13-10-8-11-14-17/h3-6,8,10-11,13-16H,7,9,12H2,1-2H3,(H2,23,25,26)/b4-3+,6-5+/t16-/m0/s1 | Definition date: | 2018-12-21 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one |
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 | B0O | Name: | (6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one | Formula: | C22 H25 N O2 | SMILES: | C2(=O)C=1C4C(C(C=CC)OC=1C(=CN2)c3ccccc3)CCCC4C | InChi: | InChI=1S/C22H25NO2/c1-3-8-18-16-12-7-9-14(2)19(16)20-21(25-18)17(13-23-22(20)24)15-10-5-4-6-11-15/h3-6,8,10-11,13-14,16,18-19H,7,9,12H2,1-2H3,(H,23,24)/b8-3+/t14-,16+,18+,19+/m0/s1 | Definition date: | 2018-12-21 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | (6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one |
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 | G8B | Name: | 3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide | Formula: | C23 H26 N6 O4 S | SMILES: | COc1ccccc1NC(=O)c2nc(cnc2N)c3ccc(cc3)[S](=O)(=O)N4CCN(C)CC4 | InChi: | InChI=1S/C23H26N6O4S/c1-28-11-13-29(14-12-28)34(31,32)17-9-7-16(8-10-17)19-15-25-22(24)21(26-19)23(30)27-18-5-3-4-6-20(18)33-2/h3-10,15H,11-14H2,1-2H3,(H2,24,25)(H,27,30) | Definition date: | 2018-09-05 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | 3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide |
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 | G8N | Name: | 3-azanyl-~{N}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide | Formula: | C19 H26 N6 O4 S | SMILES: | COCCNC(=O)c1nc(cnc1N)c2ccc(cc2)[S](=O)(=O)N3CCN(C)CC3 | InChi: | InChI=1S/C19H26N6O4S/c1-24-8-10-25(11-9-24)30(27,28)15-5-3-14(4-6-15)16-13-22-18(20)17(23-16)19(26)21-7-12-29-2/h3-6,13H,7-12H2,1-2H3,(H2,20,22)(H,21,26) | Definition date: | 2018-09-06 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | 3-azanyl-~{N}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide |
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 | B3O | Name: | (1R,2R,4aS,8S,8aR)-2,8-dimethyl-5'-phenyl-4a,5,6,7,8,8a-hexahydro-2H,2'H-spiro[naphthalene-1,3'-pyridine]-2',4'(1'H)-dione | Formula: | C22 H25 N O2 | SMILES: | C2(C)C=CC1CCCC(C1C23C(=O)NC=C(C3=O)c4ccccc4)C | InChi: | InChI=1S/C22H25NO2/c1-14-7-6-10-17-12-11-15(2)22(19(14)17)20(24)18(13-23-21(22)25)16-8-4-3-5-9-16/h3-5,8-9,11-15,17,19H,6-7,10H2,1-2H3,(H,23,25)/t14-,15+,17-,19+,22+/m0/s1 | Definition date: | 2019-01-10 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | (1R,2R,4aS,8S,8aR)-2,8-dimethyl-5'-phenyl-4a,5,6,7,8,8a-hexahydro-2H,2'H-spiro[naphthalene-1,3'-pyridine]-2',4'(1'H)-dione |
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 | KUP | Name: | 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine | Formula: | C13 H16 N4 O2 | SMILES: | Nc2ncc(Cc1ccc(c(OC)c1)OC)c(n2)N | InChi: | InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17) | Definition date: | 2019-01-16 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine |
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 | KXM | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R)-5-[(4aR)-7,8-dimethyl-2,4-dioxo-5-(2-phenylethyl)-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | Formula: | C35 H43 N9 O15 P2 | SMILES: | c14cc(c(cc1N(CCc2ccccc2)C3C(NC(N=C3N4CC(O)C(C(O)COP(O)(=O)OP(=O)(O)OCC7C(C(C(n6cnc5c(ncnc56)N)O7)O)O)O)=O)=O)C)C | InChi: | InChI=1S/C35H43N9O15P2/c1-17-10-20-21(11-18(17)2)43(32-26(33(50)41-35(51)40-32)42(20)9-8-19-6-4-3-5-7-19)12-22(45)27(47)23(46)13-56-60(52,53)59-61(54,55)57-14-24-28(48)29(49)34(58-24)44-16-39-25-30(36)37-15-38-31(25)44/h3-7,10-11,15-16,22-24,26-29,34,45-49H,8-9,12-14H2,1-2H3,(H,52,53)(H,54,55)(H2,36,37,38)(H,41,50,51)/t22-,23-,24-,26-,27-,28-,29-,34-/m1/s1 | Definition date: | 2019-01-23 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R)-5-[(4aR)-7,8-dimethyl-2,4-dioxo-5-(2-phenylethyl)-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
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 | B9C | Name: | N-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide | Formula: | C24 H27 N7 O2 S | SMILES: | C1N(CCNC1)c2ncc(cc2)c3nnc4c3cc(cc4)NCc5ccccc5NS(C)(=O)=O | InChi: | InChI=1S/C24H27N7O2S/c1-34(32,33)30-21-5-3-2-4-17(21)15-26-19-7-8-22-20(14-19)24(29-28-22)18-6-9-23(27-16-18)31-12-10-25-11-13-31/h2-9,14,16,25-26,30H,10-13,15H2,1H3,(H,28,29) | Definition date: | 2019-01-25 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | N-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide |
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 | KZ5 | Name: | (2~{S})-2-(dimethylamino)-3-(2-sulfo-1~{H}-imidazol-4-yl)propanoic acid | Formula: | C8 H13 N3 O5 S | SMILES: | CN(C)[CH](Cc1c[nH]c(n1)[S](O)(=O)=O)C(O)=O | InChi: | InChI=1S/C8H13N3O5S/c1-11(2)6(7(12)13)3-5-4-9-8(10-5)17(14,15)16/h4,6H,3H2,1-2H3,(H,9,10)(H,12,13)(H,14,15,16)/t6-/m0/s1 | Definition date: | 2019-07-05 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | (2~{S})-2-(dimethylamino)-3-(2-sulfo-1~{H}-imidazol-4-yl)propanoic acid |
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 | BX6 | Name: | [(1R)-1-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]-2-phenyl-ethyl]boronic acid | Formula: | C12 H18 B N O3 S | SMILES: | C[CH](CS)C(=O)N[CH](Cc1ccccc1)B(O)O | InChi: | InChI=1S/C12H18BNO3S/c1-9(8-18)12(15)14-11(13(16)17)7-10-5-3-2-4-6-10/h2-6,9,11,16-18H,7-8H2,1H3,(H,14,15)/t9-,11+/m1/s1 | Definition date: | 2019-03-27 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | [(1~{R})-1-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]-2-phenyl-ethyl]boronic acid |
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 | BX9 | Name: | [(R)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid | Formula: | C11 H15 B F N O3 S | SMILES: | C[CH](CS)C(=O)N[CH](B(O)O)c1ccc(F)cc1 | InChi: | InChI=1S/C11H15BFNO3S/c1-7(6-18)11(15)14-10(12(16)17)8-2-4-9(13)5-3-8/h2-5,7,10,16-18H,6H2,1H3,(H,14,15)/t7-,10+/m1/s1 | Definition date: | 2019-03-27 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | [(~{R})-(4-fluorophenyl)-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid |
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 | BXU | Name: | [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid | Formula: | C11 H15 B F N O3 S | SMILES: | C[CH](CS)C(=O)N[CH](B(O)O)c1ccc(F)cc1 | InChi: | InChI=1S/C11H15BFNO3S/c1-7(6-18)11(15)14-10(12(16)17)8-2-4-9(13)5-3-8/h2-5,7,10,16-18H,6H2,1H3,(H,14,15)/t7-,10-/m1/s1 | Definition date: | 2019-03-27 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | [(~{S})-(4-fluorophenyl)-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid |
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 | BY0 | Name: | [(1S)-2-(1-benzofuran-3-yl)-1-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethyl]boronic acid | Formula: | C14 H18 B N O4 S | SMILES: | C[CH](CS)C(=O)N[CH](Cc1coc2ccccc12)B(O)O | InChi: | InChI=1S/C14H18BNO4S/c1-9(8-21)14(17)16-13(15(18)19)6-10-7-20-12-5-3-2-4-11(10)12/h2-5,7,9,13,18-19,21H,6,8H2,1H3,(H,16,17)/t9-,13-/m1/s1 | Definition date: | 2019-03-27 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | [(1~{S})-2-(1-benzofuran-3-yl)-1-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]ethyl]boronic acid |
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 | FH8 | Name: | 5-carboxy methylrhodamine | Formula: | C25 H23 N2 O5 | SMILES: | CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccc(cc4C(O)=O)C(O)=O)=[N+](C)C)c1 | InChi: | InChI=1S/C25H22N2O5/c1-26(2)15-6-9-18-21(12-15)32-22-13-16(27(3)4)7-10-19(22)23(18)17-8-5-14(24(28)29)11-20(17)25(30)31/h5-13H,1-4H3,(H-,28,29,30,31)/p+1 | Definition date: | 2018-07-04 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | [9-(2,4-dicarboxyphenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium |
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 | D2U | Name: | (2~{S})-2-[[(2~{R})-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid | Formula: | C36 H35 N3 O4 | SMILES: | CN([CH](Cc1ccc(cc1)c2ccccc2)C(=O)N[CH](Cc3c[nH]c4ccccc34)C(O)=O)C(=O)c5cc(C)cc(C)c5 | InChi: | InChI=1S/C36H35N3O4/c1-23-17-24(2)19-28(18-23)35(41)39(3)33(20-25-13-15-27(16-14-25)26-9-5-4-6-10-26)34(40)38-32(36(42)43)21-29-22-37-31-12-8-7-11-30(29)31/h4-19,22,32-33,37H,20-21H2,1-3H3,(H,38,40)(H,42,43)/t32-,33+/m0/s1 | Definition date: | 2019-06-07 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | (2~{S})-2-[[(2~{R})-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid |
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