 | 7XC | Name: | (2R)-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid | Formula: | C10 H14 N4 O2 | SMILES: | N[CH](Cc1ccc(NC(N)=N)cc1)C(O)=O | InChi: | InChI=1S/C10H14N4O2/c11-8(9(15)16)5-6-1-3-7(4-2-6)14-10(12)13/h1-4,8H,5,11H2,(H,15,16)(H4,12,13,14)/t8-/m1/s1 | Definition date: | 2017-02-02 | Last modified: | 2024-09-27 | Release date: | 2018-07-11 | Identifier: | (2~{R})-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid |
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 | 7XK | Name: | N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-cyclopropylacetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | Formula: | C27 H40 N4 O6 | SMILES: | O=C(OCc1ccccc1)NC(C1CC1)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO | InChi: | InChI=1S/C27H40N4O6/c1-27(2,3)14-21(24(34)29-20(15-32)13-19-11-12-28-23(19)33)30-25(35)22(18-9-10-18)31-26(36)37-16-17-7-5-4-6-8-17/h4-8,18-22,32H,9-16H2,1-3H3,(H,28,33)(H,29,34)(H,30,35)(H,31,36)/t19-,20-,21-,22-/m0/s1 | Definition date: | 2021-08-23 | Last modified: | 2024-09-27 | Release date: | 2022-07-20 | Identifier: | N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-cyclopropylacetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide |
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 | 1KA | Name: | (2-hydroxyethoxy)acetaldehyde | Formula: | C4 H8 O3 | SMILES: | O=CCOCCO | InChi: | InChI=1S/C4H8O3/c5-1-3-7-4-2-6/h1,6H,2-4H2 | Definition date: | 2012-12-25 | Last modified: | 2024-09-27 | Release date: | 2013-02-15 | Identifier: | (2-hydroxyethoxy)acetaldehyde |
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 | 1KC | Name: | (3S)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid | Formula: | C8 H14 O3 S | SMILES: | CSCCC=C[CH](O)CC(O)=O | InChi: | InChI=1S/C8H14O3S/c1-12-5-3-2-4-7(9)6-8(10)11/h2,4,7,9H,3,5-6H2,1H3,(H,10,11)/b4-2-/t7-/m1/s1 | Definition date: | 2013-03-04 | Last modified: | 2024-09-27 | Release date: | 2014-03-05 | Identifier: | (3S)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid |
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 | 7XT | Name: | N-[(benzyloxy)carbonyl]-3-methyl-L-isovalyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | Formula: | C28 H44 N4 O6 | SMILES: | CC(C)C(C)(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO | InChi: | InChI=1S/C28H44N4O6/c1-18(2)28(6,32-26(37)38-17-19-10-8-7-9-11-19)25(36)31-22(15-27(3,4)5)24(35)30-21(16-33)14-20-12-13-29-23(20)34/h7-11,18,20-22,33H,12-17H2,1-6H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t20-,21-,22-,28-/m0/s1 | Definition date: | 2021-08-23 | Last modified: | 2024-09-27 | Release date: | 2022-07-20 | Identifier: | N-[(benzyloxy)carbonyl]-3-methyl-L-isovalyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide |
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 | 7Y2 | Name: | N-[(benzyloxy)carbonyl]-2-methyl-L-alanyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | Formula: | C26 H40 N4 O6 | SMILES: | O=C(OCc1ccccc1)NC(C)(C)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO | InChi: | InChI=1S/C26H40N4O6/c1-25(2,3)14-20(22(33)28-19(15-31)13-18-11-12-27-21(18)32)29-23(34)26(4,5)30-24(35)36-16-17-9-7-6-8-10-17/h6-10,18-20,31H,11-16H2,1-5H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t18-,19-,20-/m0/s1 | Definition date: | 2021-08-23 | Last modified: | 2024-09-27 | Release date: | 2022-07-20 | Identifier: | N-[(benzyloxy)carbonyl]-2-methyl-L-alanyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide |
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 | 1KR | Name: | benzyl [(2S)-1-({(2R)-1-[(1S,2S)-2-{[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]carbamate | Formula: | C32 H43 N3 O6 | SMILES: | O=C(NC3CC3CC(NC(=O)C(NC(=O)OCc1ccccc1)C)CCc2ccccc2)C(O)C(C=O)C(C)CC | InChi: | InChI=1S/C32H43N3O6/c1-4-21(2)27(19-36)29(37)31(39)35-28-18-25(28)17-26(16-15-23-11-7-5-8-12-23)34-30(38)22(3)33-32(40)41-20-24-13-9-6-10-14-24/h5-14,19,21-22,25-29,37H,4,15-18,20H2,1-3H3,(H,33,40)(H,34,38)(H,35,39)/t21-,22-,25+,26+,27-,28-,29+/m0/s1 | Definition date: | 2013-03-12 | Last modified: | 2024-09-27 | Release date: | 2013-04-17 | Identifier: | benzyl [(2S)-1-({(2R)-1-[(1S,2S)-2-{[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]carbamate |
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 | 7YB | Name: | benzyl (1-{[(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamoyl}cyclopropyl)carbamate | Formula: | C28 H40 N4 O6 | SMILES: | O=C(OCc1ccccc1)NC1(CC1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)CO | InChi: | InChI=1S/C28H40N4O6/c33-17-22(16-21-11-14-29-24(21)34)30-25(35)23(15-19-7-3-1-4-8-19)31-26(36)28(12-13-28)32-27(37)38-18-20-9-5-2-6-10-20/h2,5-6,9-10,19,21-23,33H,1,3-4,7-8,11-18H2,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t21-,22-,23-/m0/s1 | Definition date: | 2021-08-23 | Last modified: | 2024-09-27 | Release date: | 2022-07-20 | Identifier: | benzyl (1-{[(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamoyl}cyclopropyl)carbamate |
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 | 7YI | Name: | benzyl [(1S)-1-cyclopropyl-2-{[(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-2-oxoethyl]carbamate | Formula: | C26 H36 N4 O6 | SMILES: | O=C(OCc1ccccc1)NC(C1CC1)C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)CO | InChi: | InChI=1S/C26H36N4O6/c31-14-20(13-19-10-11-27-23(19)32)28-24(33)21(12-16-6-7-16)29-25(34)22(18-8-9-18)30-26(35)36-15-17-4-2-1-3-5-17/h1-5,16,18-22,31H,6-15H2,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1 | Definition date: | 2021-08-23 | Last modified: | 2024-09-27 | Release date: | 2022-07-20 | Identifier: | benzyl [(1S)-1-cyclopropyl-2-{[(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-2-oxoethyl]carbamate |
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 | 1LB | Name: | (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide | Formula: | C11 H10 N4 O | SMILES: | N#CC(C(=O)N)Cc1cc2c(cc1)nnc2 | InChi: | InChI=1S/C11H10N4O/c12-5-8(11(13)16)3-7-1-2-10-9(4-7)6-14-15-10/h1-2,4,6,8H,3H2,(H2,13,16)(H,14,15)/t8-/m0/s1 | Definition date: | 2013-03-18 | Last modified: | 2024-09-27 | Release date: | 2013-04-10 | Identifier: | (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide |
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 | 1LC | Name: | (2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide | Formula: | C18 H14 N4 O2 | SMILES: | N#CC(C(=O)N)Cc1cccc(c1)C(=O)c3c2cccnc2nc3 | InChi: | InChI=1S/C18H14N4O2/c19-9-13(17(20)24)8-11-3-1-4-12(7-11)16(23)15-10-22-18-14(15)5-2-6-21-18/h1-7,10,13H,8H2,(H2,20,24)(H,21,22)/t13-/m1/s1 | Definition date: | 2013-03-18 | Last modified: | 2024-09-27 | Release date: | 2013-04-10 | Identifier: | (2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide |
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 | 7YQ | Name: | O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | Formula: | C32 H49 Cl N4 O7 | SMILES: | CC(C)(C)OC(C)C(NC(=O)OCc1cccc(Cl)c1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)CO | InChi: | InChI=1S/C32H49ClN4O7/c1-20(44-32(2,3)4)27(37-31(42)43-19-22-11-8-12-24(33)15-22)30(41)36-26(16-21-9-6-5-7-10-21)29(40)35-25(18-38)17-23-13-14-34-28(23)39/h8,11-12,15,20-21,23,25-27,38H,5-7,9-10,13-14,16-19H2,1-4H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t20-,23+,25+,26+,27+/m1/s1 | Definition date: | 2021-08-23 | Last modified: | 2024-09-27 | Release date: | 2022-07-20 | Identifier: | O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide |
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 | 1LE | Name: | (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide | Formula: | C24 H28 N4 O5 | SMILES: | N#CC(C(=O)NC(C)(C)CO)Cc1cc2c(cc1)nnc2c3cc(OC)c(OC)c(OC)c3 | InChi: | InChI=1S/C24H28N4O5/c1-24(2,13-29)26-23(30)16(12-25)8-14-6-7-18-17(9-14)21(28-27-18)15-10-19(31-3)22(33-5)20(11-15)32-4/h6-7,9-11,16,29H,8,13H2,1-5H3,(H,26,30)(H,27,28)/t16-/m0/s1 | Definition date: | 2013-03-18 | Last modified: | 2024-09-27 | Release date: | 2013-04-10 | Identifier: | (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide |
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 | 7YW | Name: | O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Formula: | C29 H45 Cl N4 O7 | SMILES: | CC(C)(C)OC(C)C(NC(=O)OCc1cccc(Cl)c1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)CO | InChi: | InChI=1S/C29H45ClN4O7/c1-17(2)12-23(26(37)32-22(15-35)14-20-10-11-31-25(20)36)33-27(38)24(18(3)41-29(4,5)6)34-28(39)40-16-19-8-7-9-21(30)13-19/h7-9,13,17-18,20,22-24,35H,10-12,14-16H2,1-6H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t18-,20+,22+,23+,24+/m1/s1 | Definition date: | 2021-08-23 | Last modified: | 2024-09-27 | Release date: | 2022-07-20 | Identifier: | O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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 | 7YZ | Name: | N-{[(3-chlorophenyl)methoxy]carbonyl}-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | Formula: | C29 H43 Cl N4 O6 | SMILES: | CC(C)C(NC(=O)OCc1cccc(Cl)c1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)CO | InChi: | InChI=1S/C29H43ClN4O6/c1-18(2)25(34-29(39)40-17-20-9-6-10-22(30)13-20)28(38)33-24(14-19-7-4-3-5-8-19)27(37)32-23(16-35)15-21-11-12-31-26(21)36/h6,9-10,13,18-19,21,23-25,35H,3-5,7-8,11-12,14-17H2,1-2H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t21-,23-,24-,25-/m0/s1 | Definition date: | 2021-08-23 | Last modified: | 2024-09-27 | Release date: | 2022-07-20 | Identifier: | N-{[(3-chlorophenyl)methoxy]carbonyl}-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide |
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 | 1LU | Name: | (2S)-2-hydroxy-4-methyl-pentanoic acid | Formula: | C6 H12 O3 | SMILES: | O=C(O)C(O)CC(C)C | InChi: | InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1 | Definition date: | 2000-01-21 | Last modified: | 2024-09-27 | Identifier: | (2S)-2-hydroxy-4-methylpentanoic acid |
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 | 7ZS | Name: | 3-methanoyl-2-oxidanyl-benzoic acid | Formula: | C8 H6 O4 | SMILES: | OC(=O)c1cccc(C=O)c1O | InChi: | InChI=1S/C8H6O4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H,(H,11,12) | Definition date: | 2016-12-13 | Last modified: | 2024-09-27 | Release date: | 2017-02-08 | Identifier: | 3-methanoyl-2-oxidanyl-benzoic acid |
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 | 1MH | Name: | 3-pyridin-3-yl-L-alanine | Formula: | C8 H10 N2 O2 | SMILES: | O=C(O)C(N)Cc1cccnc1 | InChi: | InChI=1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m0/s1 | Definition date: | 2013-03-28 | Last modified: | 2024-09-27 | Release date: | 2013-06-12 | Identifier: | 3-pyridin-3-yl-L-alanine |
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 | 800 | Name: | N-(1H-indole-2-carbonyl)-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Formula: | C27 H39 N5 O5 | SMILES: | CC(C)C(NC(=O)c1cc2ccccc2[NH]1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)CO | InChi: | InChI=1S/C27H39N5O5/c1-15(2)11-21(25(35)29-19(14-33)12-18-9-10-28-24(18)34)31-27(37)23(16(3)4)32-26(36)22-13-17-7-5-6-8-20(17)30-22/h5-8,13,15-16,18-19,21,23,30,33H,9-12,14H2,1-4H3,(H,28,34)(H,29,35)(H,31,37)(H,32,36)/t18-,19-,21-,23-/m0/s1 | Definition date: | 2021-08-24 | Last modified: | 2024-09-27 | Release date: | 2022-07-20 | Identifier: | N-(1H-indole-2-carbonyl)-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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 | 1N0 | Name: | 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione | Formula: | C14 H20 N2 O4 | SMILES: | O=C1N(C(=O)CC1)CCCCCCN2C(=O)CCC2=O | InChi: | InChI=1S/C14H20N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-16-13(19)7-8-14(16)20/h1-10H2 | Synonyms: | bis(maleimido)hexane, bound form | Definition date: | 2013-04-02 | Last modified: | 2024-09-27 | Release date: | 2013-06-19 | Identifier: | 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione |
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 | 1N2 | Name: | 1,1'-ethane-1,2-diyldipyrrolidine-2,5-dione | Formula: | C10 H12 N2 O4 | SMILES: | O=C1CCC(N1CCN2C(=O)CCC2=O)=O | InChi: | InChI=1S/C10H12N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-6H2 | Definition date: | 2015-08-06 | Last modified: | 2024-09-27 | Release date: | 2016-02-03 | Identifier: | 1,1'-ethane-1,2-diyldipyrrolidine-2,5-dione |
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 | 1NB | Name: | 2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENAL | Formula: | C10 H16 O2 | SMILES: | O=CC(C/C=C)C1CCCC1O | InChi: | InChI=1S/C10H16O2/c1-2-4-8(7-11)9-5-3-6-10(9)12/h2,7-10,12H,1,3-6H2/t8-,9+,10-/m0/s1 | Synonyms: | GR143783 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (2R)-2-[(1R,2S)-2-hydroxycyclopentyl]pent-4-enal |
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 | 80U | Name: | 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one | Formula: | C24 H25 Cl N8 O2 | SMILES: | Cn1ccnc1COc2ccc(cc2Cl)c3nn([CH]4CCCN(C4)C(=O)C=C)c5ncnc(N)c35 | InChi: | InChI=1S/C24H25ClN8O2/c1-3-20(34)32-9-4-5-16(12-32)33-24-21(23(26)28-14-29-24)22(30-33)15-6-7-18(17(25)11-15)35-13-19-27-8-10-31(19)2/h3,6-8,10-11,14,16H,1,4-5,9,12-13H2,2H3,(H2,26,28,29)/t16-/m1/s1 | Definition date: | 2017-03-10 | Last modified: | 2024-09-27 | Release date: | 2017-04-02 | Identifier: | 1-[(3~{R})-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one |
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 | 80V | Name: | 4-[6-({4-[(fluorosulfonyl)oxy]phenyl}ethynyl)-4,4-dimethyl-3,4-dihydroquinolin-1(2H)-yl]-4-oxobutanoic acid | Formula: | C23 H22 F N O6 S | SMILES: | FS(=O)(=O)Oc1ccc(cc1)C#Cc1ccc2c(c1)C(C)(C)CCN2C(=O)CCC(=O)O | InChi: | InChI=1S/C23H22FNO6S/c1-23(2)13-14-25(21(26)11-12-22(27)28)20-10-7-17(15-19(20)23)4-3-16-5-8-18(9-6-16)31-32(24,29)30/h5-10,15H,11-14H2,1-2H3,(H,27,28) | Definition date: | 2021-08-25 | Last modified: | 2024-09-27 | Release date: | 2021-12-15 | Identifier: | 4-[6-({4-[(fluorosulfonyl)oxy]phenyl}ethynyl)-4,4-dimethyl-3,4-dihydroquinolin-1(2H)-yl]-4-oxobutanoic acid |
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 | 80Y | Name: | 2-azanylethyl [(2R,3S,4S,5S,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hydrogen phosphate | Formula: | C8 H18 N O9 P | SMILES: | NCCO[P](O)(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C8H18NO9P/c9-1-2-16-19(14,15)17-3-4-5(10)6(11)7(12)8(13)18-4/h4-8,10-13H,1-3,9H2,(H,14,15)/t4-,5-,6+,7+,8+/m1/s1 | Definition date: | 2023-03-15 | Last modified: | 2024-09-27 | Release date: | 2023-08-16 | Identifier: | 2-azanylethyl [(2~{R},3~{S},4~{S},5~{S},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hydrogen phosphate |
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