![SZI SZI](https://data.pdbj.org/pdbjplus/data/cc/svg/SZI.svg) | SZI | Name: | [1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron | Formula: | C17 H14 B F6 N2 O3 S | SMILES: | O[B](O)(O)CSc1nc2ccccc2n1Cc3ccc(cc3C(F)(F)F)C(F)(F)F | InChi: | InChI=1S/C17H14BF6N2O3S/c19-16(20,21)11-6-5-10(12(7-11)17(22,23)24)8-26-14-4-2-1-3-13(14)25-15(26)30-9-18(27,28)29/h1-7,27-29H,8-9H2 | Definition date: | 2022-12-20 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | [1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-tris(oxidanyl)boron |
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![A1APZ A1APZ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1APZ.svg) | A1APZ | Name: | 1'-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-1,3-benzimidazol-2-yl]methyl}-1-(methanesulfonyl)spiro[azetidine-3,3'-indol]-2'(1'H)-one | Formula: | C23 H22 Cl F3 N4 O3 S | SMILES: | FC(F)(F)CCCn1c2ccc(Cl)cc2nc1CN1c2ccccc2C2(CN(C2)S(C)(=O)=O)C1=O | InChi: | InChI=1S/C23H22ClF3N4O3S/c1-35(33,34)29-13-22(14-29)16-5-2-3-6-18(16)31(21(22)32)12-20-28-17-11-15(24)7-8-19(17)30(20)10-4-9-23(25,26)27/h2-3,5-8,11H,4,9-10,12-14H2,1H3 | Definition date: | 2024-04-26 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | 1'-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-1,3-benzimidazol-2-yl]methyl}-1-(methanesulfonyl)spiro[azetidine-3,3'-indol]-2'(1'H)-one |
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![A1AR0 A1AR0](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AR0.svg) | A1AR0 | Name: | (2R)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid | Formula: | C22 H18 F3 N3 O4 | SMILES: | O=C(c1ccc(NC(=O)CC(c2ccc(cc2)C(F)(F)F)C(=O)O)cc1)c1nccn1C | InChi: | InChI=1S/C22H18F3N3O4/c1-28-11-10-26-20(28)19(30)14-4-8-16(9-5-14)27-18(29)12-17(21(31)32)13-2-6-15(7-3-13)22(23,24)25/h2-11,17H,12H2,1H3,(H,27,29)(H,31,32)/t17-/m1/s1 | Definition date: | 2024-05-14 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | (2R)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid |
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![A1AGA A1AGA](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AGA.svg) | A1AGA | Name: | (1S,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C26 H37 F N4 O9 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1Cc1cc(F)ccc1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C26H37FN4O9S/c1-15(2)10-20(24(34)29-21(25(35)41(37,38)39)12-17-8-9-28-23(17)33)30-26(36)40-14-19-6-7-22(32)31(19)13-16-4-3-5-18(27)11-16/h3-5,11,15,17,19-21,25,35H,6-10,12-14H2,1-2H3,(H,28,33)(H,29,34)(H,30,36)(H,37,38,39)/t17-,19-,20-,21-,25-/m0/s1 | Definition date: | 2024-02-29 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | (1S,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![A1AGB A1AGB](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AGB.svg) | A1AGB | Name: | (1R,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C26 H37 F N4 O9 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1Cc1cc(F)ccc1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C26H37FN4O9S/c1-15(2)10-20(24(34)29-21(25(35)41(37,38)39)12-17-8-9-28-23(17)33)30-26(36)40-14-19-6-7-22(32)31(19)13-16-4-3-5-18(27)11-16/h3-5,11,15,17,19-21,25,35H,6-10,12-14H2,1-2H3,(H,28,33)(H,29,34)(H,30,36)(H,37,38,39)/t17-,19-,20-,21-,25+/m0/s1 | Definition date: | 2024-02-29 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | (1R,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![A1AGE A1AGE](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AGE.svg) | A1AGE | Name: | (1R,2S)-2-{[N-({[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C26 H38 N4 O9 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1Cc1ccccc1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C26H38N4O9S/c1-16(2)12-20(24(33)28-21(25(34)40(36,37)38)13-18-10-11-27-23(18)32)29-26(35)39-15-19-8-9-22(31)30(19)14-17-6-4-3-5-7-17/h3-7,16,18-21,25,34H,8-15H2,1-2H3,(H,27,32)(H,28,33)(H,29,35)(H,36,37,38)/t18-,19-,20-,21-,25+/m0/s1 | Definition date: | 2024-02-29 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | (1R,2S)-2-{[N-({[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![A1AGF A1AGF](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AGF.svg) | A1AGF | Name: | (1S,2S)-2-{[N-({[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C26 H38 N4 O9 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1Cc1ccccc1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C26H38N4O9S/c1-16(2)12-20(24(33)28-21(25(34)40(36,37)38)13-18-10-11-27-23(18)32)29-26(35)39-15-19-8-9-22(31)30(19)14-17-6-4-3-5-7-17/h3-7,16,18-21,25,34H,8-15H2,1-2H3,(H,27,32)(H,28,33)(H,29,35)(H,36,37,38)/t18-,19-,20-,21-,25-/m0/s1 | Definition date: | 2024-02-29 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | (1S,2S)-2-{[N-({[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![A1AGQ A1AGQ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AGQ.svg) | A1AGQ | Name: | (1R,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C27 H42 N4 O9 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1CC1CC2CC1C=C2)C(O)S(=O)(=O)O | InChi: | InChI=1S/C27H42N4O9S/c1-15(2)9-21(25(34)29-22(26(35)41(37,38)39)12-18-7-8-28-24(18)33)30-27(36)40-14-20-5-6-23(32)31(20)13-19-11-16-3-4-17(19)10-16/h3-4,15-22,26,35H,5-14H2,1-2H3,(H,28,33)(H,29,34)(H,30,36)(H,37,38,39)/t16-,17+,18+,19-,20+,21+,22+,26-/m1/s1 | Definition date: | 2024-02-29 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | (1R,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![A1AGR A1AGR](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AGR.svg) | A1AGR | Name: | (1S,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C27 H42 N4 O9 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1CC1CC2CC1C=C2)C(O)S(=O)(=O)O | InChi: | InChI=1S/C27H42N4O9S/c1-15(2)9-21(25(34)29-22(26(35)41(37,38)39)12-18-7-8-28-24(18)33)30-27(36)40-14-20-5-6-23(32)31(20)13-19-11-16-3-4-17(19)10-16/h3-4,15-22,26,35H,5-14H2,1-2H3,(H,28,33)(H,29,34)(H,30,36)(H,37,38,39)/t16-,17+,18+,19-,20+,21+,22+,26+/m1/s1 | Definition date: | 2024-02-29 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | (1S,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![A1AGU A1AGU](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AGU.svg) | A1AGU | Name: | (1R,2S)-2-{[N-({[(3S)-1-{[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C27 H42 N4 O9 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CC(=O)N(CC2CC3CC2C=C3)C1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C27H42N4O9S/c1-15(2)7-21(25(34)29-22(26(35)41(37,38)39)11-19-5-6-28-24(19)33)30-27(36)40-14-17-10-23(32)31(12-17)13-20-9-16-3-4-18(20)8-16/h3-4,15-22,26,35H,5-14H2,1-2H3,(H,28,33)(H,29,34)(H,30,36)(H,37,38,39)/t16-,17+,18+,19+,20+,21+,22+,26-/m1/s1 | Definition date: | 2024-02-29 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | (1R,2S)-2-{[N-({[(3S)-1-{[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![A1AGV A1AGV](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AGV.svg) | A1AGV | Name: | (1S,2S)-2-{[N-({[(3S)-1-{[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C27 H42 N4 O9 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CC(=O)N(CC2CC3CC2C=C3)C1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C27H42N4O9S/c1-15(2)7-21(25(34)29-22(26(35)41(37,38)39)11-19-5-6-28-24(19)33)30-27(36)40-14-17-10-23(32)31(12-17)13-20-9-16-3-4-18(20)8-16/h3-4,15-22,26,35H,5-14H2,1-2H3,(H,28,33)(H,29,34)(H,30,36)(H,37,38,39)/t16-,17+,18+,19+,20+,21+,22+,26+/m1/s1 | Definition date: | 2024-02-29 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | (1S,2S)-2-{[N-({[(3S)-1-{[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![A1AGY A1AGY](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AGY.svg) | A1AGY | Name: | (1R,2S)-2-{[N-({[(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C26 H44 N4 O9 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1CC1CCCCC1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C26H44N4O9S/c1-16(2)12-20(24(33)28-21(25(34)40(36,37)38)13-18-10-11-27-23(18)32)29-26(35)39-15-19-8-9-22(31)30(19)14-17-6-4-3-5-7-17/h16-21,25,34H,3-15H2,1-2H3,(H,27,32)(H,28,33)(H,29,35)(H,36,37,38)/t18-,19+,20-,21-,25+/m0/s1 | Definition date: | 2024-02-29 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | (1R,2S)-2-{[N-({[(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![A1AGZ A1AGZ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AGZ.svg) | A1AGZ | Name: | (1S,2S)-2-{[N-({[(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C26 H44 N4 O9 S | SMILES: | O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1CC1CCCCC1)C(O)S(=O)(=O)O | InChi: | InChI=1S/C26H44N4O9S/c1-16(2)12-20(24(33)28-21(25(34)40(36,37)38)13-18-10-11-27-23(18)32)29-26(35)39-15-19-8-9-22(31)30(19)14-17-6-4-3-5-7-17/h16-21,25,34H,3-15H2,1-2H3,(H,27,32)(H,28,33)(H,29,35)(H,36,37,38)/t18-,19+,20-,21-,25-/m0/s1 | Definition date: | 2024-02-29 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | (1S,2S)-2-{[N-({[(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![A1H5U A1H5U](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H5U.svg) | A1H5U | Name: | (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one | Formula: | C32 H33 Cl F2 N6 O4 | SMILES: | CCC(=O)N1C[CH](C)N(C[CH]1C)C2=NC(=O)[N]3c4nc(c(Cl)cc24)c5c(F)ccc(F)c5OCCOc6ccnc(C(C)C)c36 | InChi: | InChI=1S/C32H33ClF2N6O4/c1-6-24(42)39-14-18(5)40(15-17(39)4)30-19-13-20(33)27-25-21(34)7-8-22(35)29(25)45-12-11-44-23-9-10-36-26(16(2)3)28(23)41(31(19)37-27)32(43)38-30/h7-10,13,16-18H,6,11-12,14-15H2,1-5H3/t17-,18+/m1/s1 | Synonyms: | HYDROXYETHYLAMINE BACE INHIBITOR | Definition date: | 2024-03-07 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 |
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![A1IG2 A1IG2](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IG2.svg) | A1IG2 | Name: | Bomedemstat FAD adduct | Formula: | C36 H42 F N9 O16 P2 | SMILES: | Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)[C]67[CH](C[CH](O)N7c2cc1C)c8ccc(F)cc8 | InChi: | InChI=1S/C36H42FN9O16P2/c1-15-7-20-21(8-16(15)2)46-25(49)9-19(17-3-5-18(37)6-4-17)36(46)33(42-35(54)43-34(36)53)44(20)10-22(47)27(50)23(48)11-59-63(55,56)62-64(57,58)60-12-24-28(51)29(52)32(61-24)45-14-41-26-30(38)39-13-40-31(26)45/h3-8,13-14,19,22-25,27-29,32,47-52H,9-12H2,1-2H3,(H,55,56)(H,57,58)(H2,38,39,40)(H,43,53,54)/t19-,22+,23-,24-,25-,27+,28-,29-,32-,36+/m1/s1 | Definition date: | 2024-07-02 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 |
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![A1L1V A1L1V](https://data.pdbj.org/pdbjplus/data/cc/svg/A1L1V.svg) | A1L1V | Name: | (2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | Formula: | C22 H32 O3 | SMILES: | C[CH]1CC[C]2(CC1)CCc3ccc(C)c([CH](OC(C)(C)C)C(O)=O)c23 | InChi: | InChI=1S/C22H32O3/c1-14-8-11-22(12-9-14)13-10-16-7-6-15(2)17(18(16)22)19(20(23)24)25-21(3,4)5/h6-7,14,19H,8-13H2,1-5H3,(H,23,24)/t14-,19?,22- | Definition date: | 2024-05-21 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | (2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
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![A1L1W A1L1W](https://data.pdbj.org/pdbjplus/data/cc/svg/A1L1W.svg) | A1L1W | Name: | (2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | Formula: | C30 H45 N O4 | SMILES: | C[CH]1CC[C]2(CC1)CCc3c(cc(C)c([CH](OC(C)(C)C)C(O)=O)c23)C(=O)NC4CCCCCC4 | InChi: | InChI=1S/C30H45NO4/c1-19-12-15-30(16-13-19)17-14-22-23(27(32)31-21-10-8-6-7-9-11-21)18-20(2)24(25(22)30)26(28(33)34)35-29(3,4)5/h18-19,21,26H,6-17H2,1-5H3,(H,31,32)(H,33,34)/t19-,26?,30- | Definition date: | 2024-05-21 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | (2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
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![A1LXA A1LXA](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LXA.svg) | A1LXA | Name: | L-2-keto-3-deoxyfuconate | Formula: | C6 H10 O5 | SMILES: | C[CH]1O[C](O)(C[CH]1O)C(O)=O | InChi: | InChI=1S/C6H10O5/c1-3-4(7)2-6(10,11-3)5(8)9/h3-4,7,10H,2H2,1H3,(H,8,9)/t3-,4-,6-/m0/s1 | Synonyms: | (2~{S},4~{S},5~{S})-5-methyl-2,4-bis(oxidanyl)oxolane-2-carboxylic acid | Definition date: | 2024-01-31 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | (2~{S},4~{S},5~{S})-5-methyl-2,4-bis(oxidanyl)oxolane-2-carboxylic acid |
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![A1LXB A1LXB](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LXB.svg) | A1LXB | Name: | L-2,4-diketo-3-deoxyfuconate | Formula: | C6 H8 O5 | SMILES: | C[CH]1O[C](O)(CC1=O)C(O)=O | InChi: | InChI=1S/C6H8O5/c1-3-4(7)2-6(10,11-3)5(8)9/h3,10H,2H2,1H3,(H,8,9)/t3-,6-/m0/s1 | Synonyms: | (2~{S},5~{S})-5-methyl-2-oxidanyl-4-oxidanylidene-oxolane-2-carboxylic acid | Definition date: | 2024-01-31 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | (2~{S},5~{S})-5-methyl-2-oxidanyl-4-oxidanylidene-oxolane-2-carboxylic acid |
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![A1LXD A1LXD](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LXD.svg) | A1LXD | Name: | D-2-keto-3-deoxypentonate | Formula: | C5 H8 O5 | SMILES: | O[CH]1CO[C](O)(C1)C(O)=O | InChi: | InChI=1S/C5H8O5/c6-3-1-5(9,4(7)8)10-2-3/h3,6,9H,1-2H2,(H,7,8)/t3-,5-/m0/s1 | Synonyms: | (2~{S},4~{S})-2,4-bis(oxidanyl)oxolane-2-carboxylic acid | Definition date: | 2024-01-31 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | (2~{S},4~{S})-2,4-bis(oxidanyl)oxolane-2-carboxylic acid |
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![I64 I64](https://data.pdbj.org/pdbjplus/data/cc/svg/I64.svg) | I64 | Name: | benzyl [(2S)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-4-methyl-1-oxopentan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]carbamate (non-preferred name) | Formula: | C25 H39 N5 O6 | SMILES: | CCC(=O)N(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C | InChi: | InChI=1S/C25H39N5O6/c1-6-21(32)30(13-12-20(26)31)29-23(33)19(14-16(2)3)27-24(34)22(17(4)5)28-25(35)36-15-18-10-8-7-9-11-18/h7-11,16-17,19,22H,6,12-15H2,1-5H3,(H2,26,31)(H,27,34)(H,28,35)(H,29,33)/t19-,22-/m0/s1 | Definition date: | 2021-10-13 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | benzyl [(2S)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-4-methyl-1-oxopentan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]carbamate (non-preferred name) |
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![KTO KTO](https://data.pdbj.org/pdbjplus/data/cc/svg/KTO.svg) | KTO | Name: | (2~{S})-2-azanyl-3-[(2~{R},3~{S})-2-oxidanyl-3-[[(1~{S},5~{R})-3-oxidanylidene-9-azabicyclo[3.3.1]nonan-9-yl]oxy]-1,2-dihydroindol-3-yl]propanal | Formula: | C19 H25 N3 O5 | SMILES: | N[CH](C[C]1(ON2[CH]3CCC[CH]2CC(=O)C3)[CH](O)Nc4ccccc14)C(O)=O | InChi: | InChI=1S/C19H25N3O5/c20-15(17(24)25)10-19(14-6-1-2-7-16(14)21-18(19)26)27-22-11-4-3-5-12(22)9-13(23)8-11/h1-2,6-7,11-12,15,18,21,26H,3-5,8-10,20H2,(H,24,25)/t11-,12+,15-,18+,19-/m0/s1 | Definition date: | 2016-05-12 | Last modified: | 2024-07-03 | Release date: | 2016-09-14 | Identifier: | (2~{S})-2-azanyl-3-[(2~{R},3~{S})-2-oxidanyl-3-[[(1~{S},5~{R})-3-oxidanylidene-9-azabicyclo[3.3.1]nonan-9-yl]oxy]-1,2-dihydroindol-3-yl]propanoic acid |
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![F8O F8O](https://data.pdbj.org/pdbjplus/data/cc/svg/F8O.svg) | F8O | Name: | (2~{R},4~{R})-2,4-dimethyloctanal | Formula: | C10 H20 O2 | SMILES: | CCCC[CH](C)C[CH](C)C(O)=O | InChi: | InChI=1S/C10H20O2/c1-4-5-6-8(2)7-9(3)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)/t8-,9-/m1/s1 | Definition date: | 2023-07-19 | Last modified: | 2024-07-03 | Release date: | 2024-05-08 | Identifier: | (2~{R},4~{R})-2,4-dimethyloctanoic acid |
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![X6I X6I](https://data.pdbj.org/pdbjplus/data/cc/svg/X6I.svg) | X6I | Name: | S-{2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]ethyl}-L-cysteine | Formula: | C13 H20 N3 O7 P S | SMILES: | Oc1c(/C=N/CCSCC(N)C(=O)O)c(cnc1C)COP(=O)(O)O | InChi: | InChI=1S/C13H20N3O7PS/c1-8-12(17)10(9(4-16-8)6-23-24(20,21)22)5-15-2-3-25-7-11(14)13(18)19/h4-5,11,17H,2-3,6-7,14H2,1H3,(H,18,19)(H2,20,21,22)/b15-5+/t11-/m0/s1 | Definition date: | 2023-06-02 | Last modified: | 2024-06-28 | Release date: | 2024-07-03 | Identifier: | S-{2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]ethyl}-L-cysteine |
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![ZO1 ZO1](https://data.pdbj.org/pdbjplus/data/cc/svg/ZO1.svg) | ZO1 | Name: | 3-(trifluoromethyl)benzaldehyde | Formula: | C8 H5 F3 O2 | SMILES: | FC(F)(F)c1cccc(C=O)c1 | InChi: | InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13) | Definition date: | 2021-05-12 | Last modified: | 2024-06-28 | Release date: | 2022-03-02 | Identifier: | 3-(trifluoromethyl)benzaldehyde |
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