C143H184N22O28 — CID 163933422
(3S)-3-amino-N-benzyl-2-hydroxy-4-[(1S)-2-oxocyclopentyl]butanamide;(2S)-N-[(2S)-4-(benzylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1-(1H-indole-2-carbonyl)piperidine-2-carboxamide;(2S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]piperidine-2-carboxamide;(2S)-N-[(2S)-4-(benzylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1-(1H-indole-2-carbonyl)piperidine-2-carboxamide;tert-butyl (2S)-2-[[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]carbamoyl]piperidine-1-carboxylate;1H-indole-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (PubChem CID 163933422) has the molecular formula C143H184N22O28 and a molecular weight of 2659.17 g/mol. Its IUPAC name is (3S)-3-amino-N-benzyl-2-hydroxy-4-[(1S)-2-oxocyclopentyl]butanamide;(2S)-N-[(2S)-4-(benzylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1-(1H-indole-2-carbonyl)piperidine-2-carboxamide;(2S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]piperidine-2-carboxamide;(2S)-N-[(2S)-4-(benzylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1-(1H-indole-2-carbonyl)piperidine-2-carboxamide;tert-butyl (2S)-2-[[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]carbamoyl]piperidine-1-carboxylate;1H-indole-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.
| Compound Name | (3S)-3-amino-N-benzyl-2-hydroxy-4-[(1S)-2-oxocyclopentyl]butanamide;(2S)-N-[(2S)-4-(benzylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1-(1H-indole-2-carbonyl)piperidine-2-carboxamide;(2S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]piperidine-2-carboxamide;(2S)-N-[(2S)-4-(benzylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1-(1H-indole-2-carbonyl)piperidine-2-carboxamide;tert-butyl (2S)-2-[[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]carbamoyl]piperidine-1-carboxylate;1H-indole-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid |
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| PubChem CID | 163933422 |
| Molecular Formula | C143H184N22O28 |
| Molecular Weight | 2659.17 g/mol |
| Exact Mass | 2657.37 |
| IUPAC Name | (3S)-3-amino-N-benzyl-2-hydroxy-4-[(1S)-2-oxocyclopentyl]butanamide;(2S)-N-[(2S)-4-(benzylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1-(1H-indole-2-carbonyl)piperidine-2-carboxamide;(2S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]piperidine-2-carboxamide;(2S)-N-[(2S)-4-(benzylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1-(1H-indole-2-carbonyl)piperidine-2-carboxamide;tert-butyl (2S)-2-[[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]carbamoyl]piperidine-1-carboxylate;1H-indole-2-carboxylic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid |
| SMILES | CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)C(=O)NCc1ccccc1.CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)O.N[C@@H](C[C@@H]1CCCC1=O)C(O)C(=O)NCc1ccccc1.O=C(C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1)NCc1ccccc1.O=C(NCc1ccccc1)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1.O=C(NCc1ccccc1)C(O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1CCCCN1.O=C(O)c1cc2ccccc2[nH]1 |
| InChI | InChI=1S/C30H33N5O5.C30H35N5O4.C26H38N4O6.C21H30N4O4.C16H22N2O3.C11H19NO4.C9H7NO2/c36-26(29(39)32-18-19-8-2-1-3-9-19)23(17-21-13-14-31-27(21)37)34-28(38)25-12-6-7-15-35(25)30(40)24-16-20-10-4-5-11-22(20)33-24;36-27(32-19-20-8-2-1-3-9-20)18-23(16-22-13-14-31-28(22)37)33-29(38)26-12-6-7-15-35(26)30(39)25-17-21-10-4-5-11-24(21)34-25;1-26(2,3)36-25(35)30-14-8-7-11-20(30)23(33)29-19(15-18-12-13-27-22(18)32)21(31)24(34)28-16-17-9-5-4-6-10-17;26-18(21(29)24-13-14-6-2-1-3-7-14)17(12-15-9-11-23-19(15)27)25-20(28)16-8-4-5-10-22-16;17-13(9-12-7-4-8-14(12)19)15(20)16(21)18-10-11-5-2-1-3-6-11;1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14;11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,8-11,16,21,23,25,33H,6-7,12-15,17-18H2,(H,31,37)(H,32,39)(H,34,38);1-5,8-11,17,22-23,26,34H,6-7,12-16,18-19H2,(H,31,37)(H,32,36)(H,33,38);4-6,9-10,18-21,31H,7-8,11-16H2,1-3H3,(H,27,32)(H,28,34)(H,29,33);1-3,6-7,15-18,22,26H,4-5,8-13H2,(H,23,27)(H,24,29)(H,25,28);1-3,5-6,12-13,15,20H,4,7-10,17H2,(H,18,21);8H,4-7H2,1-3H3,(H,13,14);1-5,10H,(H,11,12)/t21-,23-,25-;22-,23-,26-;18-,19-,20-,21?;15-,16-,17-,18?;12-,13-,15?;8-;/m000000./s1 |
| InChIKey | RKQUGTQSBBFAIA-SGSDGDDQSA-N |
| XLogP | 10.70 |
| TPSA | 732.85 Ų |
| H-Bond Donors | 23 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 193 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2659.17 |
| LogP ≤ 5 | 10.70 |
| H-Bond Donors ≤ 5 | 23 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
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