 | | KUS | | Name: | (Z)-N-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide | | Formula: | C10 H8 Cl N O2 | | SMILES: | Clc1ccc(NC(=O)C=CC=O)cc1 | | InChi: | InChI=1S/C10H8ClNO2/c11-8-3-5-9(6-4-8)12-10(14)2-1-7-13/h1-7H,(H,12,14)/b2-1- | | Synonyms: | N1-(4-chlorophenyl)-2-butenediamide (reacted form of) | | Definition date: | 2022-06-07 | | Last modified: | 2024-09-27 | | Release date: | 2023-06-14 | | Identifier: | (~{Z})-~{N}-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide |
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 | | W9N | | Name: | 1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one | | Formula: | C31 H33 N7 O2 | | SMILES: | Cn1cnc2cc(ccc12)Oc1ccc(cc1C)c1nn(c2ncnc(C)c21)C1CC2CCC(C1)N2C(=O)CC | | InChi: | InChI=1S/C31H33N7O2/c1-5-28(39)37-21-7-8-22(37)14-23(13-21)38-31-29(19(3)32-16-33-31)30(35-38)20-6-11-27(18(2)12-20)40-24-9-10-26-25(15-24)34-17-36(26)4/h6,9-12,15-17,21-23H,5,7-8,13-14H2,1-4H3/t21-,22+,23+ | | Definition date: | 2023-09-27 | | Last modified: | 2024-09-27 | | Release date: | 2024-06-12 | | Identifier: | 1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one |
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 | | KUT | | Name: | KUT [2-(2-[2-(2-[2-(Octadecandioyl-gamma-Glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl] | | Formula: | C35 H63 N3 O12 | | SMILES: | OC(=O)CCCCCCCCCCCCCCCCC(=O)N[CH](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC=O)C(O)=O | | InChi: | InChI=1S/C35H63N3O12/c39-21-24-49-26-25-47-23-20-37-33(42)29-50-28-27-48-22-19-36-31(40)18-17-30(35(45)46)38-32(41)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-34(43)44/h21,30H,1-20,22-29H2,(H,36,40)(H,37,42)(H,38,41)(H,43,44)(H,45,46)/t30-/m0/s1 | | Definition date: | 2019-06-28 | | Last modified: | 2024-09-27 | | Release date: | 2020-07-15 | | Identifier: | 18-[[(2~{S})-1-oxidanyl-1,5-bis(oxidanylidene)-5-[2-[2-[2-oxidanylidene-2-[2-[2-(2-oxidanylideneethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentan-2-yl]amino]-18-oxidanylidene-octadecanoic acid |
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 | | X6T | | Name: | (1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | | Formula: | C30 H46 F3 N5 O6 | | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCCNC3=O)C(O)C(=O)N3CC(C)(C)C3)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C | | InChi: | InChI=1S/C30H46F3N5O6/c1-27(2,3)21(36-26(44)30(31,32)33)25(43)38-12-16-18(29(16,6)7)19(38)23(41)35-17(11-15-9-8-10-34-22(15)40)20(39)24(42)37-13-28(4,5)14-37/h15-21,39H,8-14H2,1-7H3,(H,34,40)(H,35,41)(H,36,44)/t15-,16-,17-,18-,19-,20+,21+/m0/s1 | | Definition date: | 2022-11-02 | | Last modified: | 2024-09-27 | | Release date: | 2023-10-11 | | Identifier: | (1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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 | | YKD | | Name: | (1S,2S)-2-((S)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid | | Formula: | C23 H37 F2 N3 O8 S | | SMILES: | O=C1N=CCC1CC(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C1CCC(F)(F)CC1)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C23H37F2N3O8S/c1-13(2)11-16(28-21(32)36-22(3,4)15-5-8-23(24,25)9-6-15)19(30)27-17(20(31)37(33,34)35)12-14-7-10-26-18(14)29/h10,13-17,20,31H,5-9,11-12H2,1-4H3,(H,27,30)(H,28,32)(H,33,34,35)/t14-,16-,17-,20-/m0/s1 | | Definition date: | 2021-03-11 | | Last modified: | 2024-09-27 | | Release date: | 2021-03-24 | | Identifier: | (1S,2S)-2-{[N-({[2-(4,4-difluorocyclohexyl)propan-2-yl]oxy}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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 | | Q5W | | Name: | methyl (~{Z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate | | Formula: | C17 H14 O2 | | SMILES: | COC(=O)C(C)=Cc1ccc2cc(ccc2c1)C#C | | InChi: | InChI=1S/C17H14O2/c1-4-13-5-7-16-11-14(6-8-15(16)10-13)9-12(2)17(18)19-3/h1,5-11H,2-3H3/b12-9- | | Definition date: | 2020-05-19 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-02 | | Identifier: | methyl (~{Z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate |
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 | | LN7 | | Name: | N~5~-[(1S)-1-aminopentyl]-L-ornithine | | Formula: | C10 H23 N3 O2 | | SMILES: | O=C(O)C(N)CCCNC(N)CCCC | | InChi: | InChI=1S/C10H23N3O2/c1-2-3-6-9(12)13-7-4-5-8(11)10(14)15/h8-9,13H,2-7,11-12H2,1H3,(H,14,15)/t8-,9-/m0/s1 | | Definition date: | 2010-10-20 | | Last modified: | 2024-09-27 | | Identifier: | N~5~-[(1S)-1-aminopentyl]-L-ornithine |
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 | | WR9 | | Name: | N-[(3S)-5-amino-5-oxopent-1-en-3-yl]-1-{1-[4-(cyclopropylmethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide | | Formula: | C24 H31 N3 O4 | | SMILES: | O=C(NC(C=C)CC(N)=O)C1CCCN1C(=O)C1(CC1)c1ccc(OCC2CC2)cc1 | | InChi: | InChI=1S/C24H31N3O4/c1-2-18(14-21(25)28)26-22(29)20-4-3-13-27(20)23(30)24(11-12-24)17-7-9-19(10-8-17)31-15-16-5-6-16/h2,7-10,16,18,20H,1,3-6,11-15H2,(H2,25,28)(H,26,29)/t18-,20+/m1/s1 | | Definition date: | 2022-10-14 | | Last modified: | 2024-09-27 | | Release date: | 2023-10-11 | | Identifier: | N-[(3S)-5-amino-5-oxopent-1-en-3-yl]-1-{1-[4-(cyclopropylmethoxy)phenyl]cyclopropane-1-carbonyl}-L-prolinamide |
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 | | Q5X | | Name: | 4-chloranyl-6-fluoranyl-~{N}3-[2-fluoranyl-4-(oxetan-3-yl)phenyl]-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide | | Formula: | C25 H21 Cl F2 N2 O4 | | SMILES: | COc1ccccc1CNC(=O)c2cc(C(=O)Nc3ccc(cc3F)C4COC4)c(Cl)cc2F | | InChi: | InChI=1S/C25H21ClF2N2O4/c1-33-23-5-3-2-4-15(23)11-29-24(31)18-9-17(19(26)10-20(18)27)25(32)30-22-7-6-14(8-21(22)28)16-12-34-13-16/h2-10,16H,11-13H2,1H3,(H,29,31)(H,30,32) | | Definition date: | 2022-10-14 | | Last modified: | 2024-09-27 | | Release date: | 2022-12-28 | | Identifier: | 4-chloranyl-6-fluoranyl-~{N}3-[2-fluoranyl-4-(oxetan-3-yl)phenyl]-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide |
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 | | Y37 | | Name: | (1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid | | Formula: | C14 H18 F N2 O7 P | | SMILES: | C1C(C(=CC1C(O)=O)NCc2c(cnc(C)c2O)COP(O)(O)=O)F | | InChi: | InChI=1S/C14H18FN2O7P/c1-7-13(18)10(9(4-16-7)6-24-25(21,22)23)5-17-12-3-8(14(19)20)2-11(12)15/h3-4,8,11,17-18H,2,5-6H2,1H3,(H,19,20)(H2,21,22,23)/t8-,11-/m1/s1 | | Definition date: | 2021-02-01 | | Last modified: | 2024-09-27 | | Release date: | 2022-02-16 | | Identifier: | (1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid |
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 | | YKF | | Name: | methyl 2-formyl-2-[3-methyl-4-(3-phenoxybenzamido)phenyl]hydrazine-1-carboxylate | | Formula: | C23 H21 N3 O5 | | SMILES: | O=C(OC)NN(C=O)c1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2)c(C)c1 | | InChi: | InChI=1S/C23H21N3O5/c1-16-13-18(26(15-27)25-23(29)30-2)11-12-21(16)24-22(28)17-7-6-10-20(14-17)31-19-8-4-3-5-9-19/h3-15H,1-2H3,(H,24,28)(H,25,29) | | Definition date: | 2023-02-09 | | Last modified: | 2024-09-27 | | Release date: | 2024-02-21 | | Identifier: | methyl 2-formyl-2-[3-methyl-4-(3-phenoxybenzamido)phenyl]hydrazine-1-carboxylate |
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 | | ADF | | Name: | 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-3-TERT-BUTYLBENZOIC ACID | | Formula: | C22 H33 N3 O4 | | SMILES: | O=C(O)c3ccc(OCC2NC(C(=O)N1C(CN)CCC1)CC2)c(c3)C(C)(C)C | | InChi: | InChI=1S/C22H33N3O4/c1-22(2,3)17-11-14(21(27)28)6-9-19(17)29-13-15-7-8-18(24-15)20(26)25-10-4-5-16(25)12-23/h6,9,11,15-16,18,24H,4-5,7-8,10,12-13,23H2,1-3H3,(H,27,28)/t15-,16+,18+/m1/s1 | | Definition date: | 2006-03-08 | | Last modified: | 2024-09-27 | | Identifier: | 4-{[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-3-tert-butylbenzoic acid |
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 | | ISG | | Name: | N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-phenylcyclopropyl]methoxy}carbonyl)-L-leucinamide | | Formula: | C24 H33 N3 O5 | | SMILES: | CC(C)CC(NC(=O)OCC1CC1c1ccccc1)C(=O)NC(CC1CCNC1=O)C=O | | InChi: | InChI=1S/C24H33N3O5/c1-15(2)10-21(23(30)26-19(13-28)11-17-8-9-25-22(17)29)27-24(31)32-14-18-12-20(18)16-6-4-3-5-7-16/h3-7,13,15,17-21H,8-12,14H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)/t17-,18-,19-,20-,21-/m0/s1 | | Definition date: | 2022-01-27 | | Last modified: | 2024-09-27 | | Release date: | 2022-06-22 | | Identifier: | N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-phenylcyclopropyl]methoxy}carbonyl)-L-leucinamide |
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 | | SQW | | Name: | propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate | | Formula: | C15 H17 N O3 | | SMILES: | CC(C)OC(=O)CCC(=O)n1ccc2ccccc12 | | InChi: | InChI=1S/C15H17NO3/c1-11(2)19-15(18)8-7-14(17)16-10-9-12-5-3-4-6-13(12)16/h3-6,9-11H,7-8H2,1-2H3 | | Definition date: | 2020-11-30 | | Last modified: | 2024-09-27 | | Release date: | 2021-08-04 | | Identifier: | propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate |
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 | | Y3A | | Name: | N-[(benzyloxy)carbonyl]glycyl-N-[(2S,3R)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide | | Formula: | C22 H26 Cl N3 O5 | | SMILES: | ClCC(O)C(NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)Cc2ccccc2 | | InChi: | InChI=1S/C22H26ClN3O5/c23-12-19(27)18(11-16-7-3-1-4-8-16)26-21(29)14-24-20(28)13-25-22(30)31-15-17-9-5-2-6-10-17/h1-10,18-19,27H,11-15H2,(H,24,28)(H,25,30)(H,26,29)/t18-,19-/m0/s1 | | Synonyms: | Z-Gly-Gly-Phe-Chloromethyl ketone (bound form) | | Definition date: | 2013-01-28 | | Last modified: | 2024-09-27 | | Release date: | 2013-05-08 | | Identifier: | N-[(benzyloxy)carbonyl]glycyl-N-[(2S,3R)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide |
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 | | UMA | | Name: | URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE | | Formula: | C23 H36 N4 O20 P2 | | SMILES: | O=P(OC1OC(C(O)C(OC(C(=O)NC(C(=O)O)C)C)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O | | InChi: | InChI=1S/C23H36N4O20P2/c1-8(21(35)36)24-19(34)9(2)43-18-14(25-10(3)29)22(45-11(6-28)16(18)32)46-49(40,41)47-48(38,39)42-7-12-15(31)17(33)20(44-12)27-5-4-13(30)26-23(27)37/h4-5,8-9,11-12,14-18,20,22,28,31-33H,6-7H2,1-3H3,(H,24,34)(H,25,29)(H,35,36)(H,38,39)(H,40,41)(H,26,30,37)/t8-,9+,11+,12+,14+,15+,16+,17+,18+,20+,22+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-{[(2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoic acid (non-preferred name) |
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 | | X70 | | Name: | (1R,2S,5S)-N-{(2S,3R)-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | | Formula: | C28 H40 F5 N5 O6 | | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCCNC3=O)C(O)C(=O)N3CC(F)(F)C3)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C | | InChi: | InChI=1S/C28H40F5N5O6/c1-25(2,3)19(36-24(44)28(31,32)33)23(43)38-10-14-16(26(14,4)5)17(38)21(41)35-15(9-13-7-6-8-34-20(13)40)18(39)22(42)37-11-27(29,30)12-37/h13-19,39H,6-12H2,1-5H3,(H,34,40)(H,35,41)(H,36,44)/t13-,14-,15-,16-,17-,18+,19+/m0/s1 | | Definition date: | 2022-11-02 | | Last modified: | 2024-09-27 | | Release date: | 2023-10-11 | | Identifier: | (1R,2S,5S)-N-{(2S,3R)-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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 | | L9Z | | Name: | (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid | | Formula: | C8 H15 N O5 | | SMILES: | NC[C]1(O)C[CH](C[CH](O)[CH]1O)C(O)=O | | InChi: | InChI=1S/C8H15NO5/c9-3-8(14)2-4(7(12)13)1-5(10)6(8)11/h4-6,10-11,14H,1-3,9H2,(H,12,13)/t4-,5+,6-,8-/m0/s1 | | Definition date: | 2019-08-01 | | Last modified: | 2024-09-27 | | Release date: | 2020-04-15 | | Identifier: | (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid |
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 | | JMF | | Name: | (3S)-1-(iminomethyl)-N-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]pyrrolidine-3-carboxamide | | Formula: | C21 H24 N6 O2 | | SMILES: | N=CN1CC[CH](C1)C(=O)Nc2cn(cn2)c3ccc(cc3)C(=O)NCCCC#C | | InChi: | InChI=1S/C21H24N6O2/c1-2-3-4-10-23-20(28)16-5-7-18(8-6-16)27-13-19(24-15-27)25-21(29)17-9-11-26(12-17)14-22/h1,5-8,13-15,17,22H,3-4,9-12H2,(H,23,28)(H,25,29)/b22-14+/t17-/m0/s1 | | Synonyms: | (3S)-1-cyano-N-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]pyrrolidine-3-carboxamide, reacted form of | | Definition date: | 2022-05-05 | | Last modified: | 2024-09-27 | | Release date: | 2022-09-14 | | Identifier: | (3~{S})-1-(iminomethyl)-~{N}-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]pyrrolidine-3-carboxamide |
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 | | YKM | | Name: | (1R,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | | Formula: | C22 H37 F2 N3 O8 S | | SMILES: | CC(C)CC(NC(=O)OC(C)C1CCC(F)(F)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C22H37F2N3O8S/c1-12(2)10-16(27-21(31)35-13(3)14-4-7-22(23,24)8-5-14)19(29)26-17(20(30)36(32,33)34)11-15-6-9-25-18(15)28/h12-17,20,30H,4-11H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t13-,15-,16-,17-,20+/m0/s1 | | Definition date: | 2021-03-11 | | Last modified: | 2024-09-27 | | Release date: | 2021-03-24 | | Identifier: | (1R,2S)-2-[(N-{[(1S)-1-(4,4-difluorocyclohexyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | WRH | | Name: | methyl (2S)-1-[(2S,3S)-3-methyl-2-[[(3S)-3-oxidanyl-4-oxidanylidene-4-(propylamino)butanoyl]amino]pentanoyl]pyrrolidine-2-carboxylate | | Formula: | C19 H33 N3 O6 | | SMILES: | CCCNC(=O)[CH](O)CC(=O)N[CH]([CH](C)CC)C(=O)N1CCC[CH]1C(=O)OC | | InChi: | InChI=1S/C19H33N3O6/c1-5-9-20-17(25)14(23)11-15(24)21-16(12(3)6-2)18(26)22-10-7-8-13(22)19(27)28-4/h12-14,16,23H,5-11H2,1-4H3,(H,20,25)(H,21,24)/t12-,13-,14-,16-/m0/s1 | | Synonyms: | CA-074 methyl ester (bound) | | Definition date: | 2023-05-17 | | Last modified: | 2024-09-27 | | Release date: | 2023-07-05 | | Identifier: | methyl (2~{S})-1-[(2~{S},3~{S})-3-methyl-2-[[(3~{S})-3-oxidanyl-4-oxidanylidene-4-(propylamino)butanoyl]amino]pentanoyl]pyrrolidine-2-carboxylate |
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 | | UMC | | Name: | 2'-deoxy-5'-uridylic acid | | Formula: | C9 H15 N2 O8 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)CC1)CC2O | | InChi: | InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h5-6,8,12H,1-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 | | Definition date: | 2012-08-03 | | Last modified: | 2024-09-27 | | Release date: | 2012-08-24 | | Identifier: | 2'-deoxy-5'-uridylic acid |
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 | | ISM | | Name: | 5-AMINO-2-(2-METHOXY-2-OXOETHYL)BENZOIC ACID | | Formula: | C10 H11 N O4 | | SMILES: | O=C(O)c1cc(N)ccc1CC(=O)OC | | InChi: | InChI=1S/C10H11NO4/c1-15-9(12)4-6-2-3-7(11)5-8(6)10(13)14/h2-3,5H,4,11H2,1H3,(H,13,14) | | Definition date: | 2010-08-24 | | Last modified: | 2024-09-27 | | Identifier: | 5-amino-2-(2-methoxy-2-oxoethyl)benzoic acid |
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 | | KV6 | | Name: | (3R)-3-aminoheptadecanoic acid | | Formula: | C17 H35 N O2 | | SMILES: | NC(CCCCCCCCCCCCCC)CC(=O)O | | InChi: | InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20/h16H,2-15,18H2,1H3,(H,19,20)/t16-/m1/s1 | | Synonyms: | N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl
)-3-oxo-oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl
]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide | | Definition date: | 2022-02-16 | | Last modified: | 2024-09-27 | | Release date: | 2023-03-01 | | Identifier: | (3R)-3-aminoheptadecanoic acid |
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 | | SR2 | | Name: | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide | | Formula: | C20 H20 Br N5 O | | SMILES: | Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)/C=C/CN(C)C | | InChi: | InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+ | | Definition date: | 2007-08-06 | | Last modified: | 2024-09-27 | | Identifier: | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide |
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