1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid
(2S,3aS,7aS)-1-[(4R)-4-carboxy-4-(phenylmethoxycarbonylamino)butanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Also Known As: 1-Cgpic|KST-1A0160|1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid|(2s,3as,7as)-1-[(4r)-4-{[(benzyloxy)carbonyl]amino}-4-carboxybutanoyl]octahydro-1h-indole-2-carboxylic acid(non-preferred name)|1-(4-Benzyloxycarbonylamino-4-carboxy-butyryl)-octahydro-indole-2-carboxylic acid|(2S,3aS,7aS)-1-[(4R)-5-hydroxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid|1H-Indole-1-pentanoic acid, 2-carboxyoctahydro-delta-oxo-alpha-(((phenylmethoxy)carbonyl)amino)-, (2S-(1(S*),2apha,3abeta,7abeta))-
| Molecular Formula | C22H28N2O7 |
|---|---|
| Molecular Weight | 432.18964 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 432.18964 |
| Monoisotopic Mass | 432.18964 |
| Heavy Atoms | 31 |
| Complexity | 677.0 |
Chemical Identifiers
| CAS Number | 5451-06-9 |
|---|---|
| SMILES | C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)CC[C@H](C(=O)O)NC(=O)OCC3=CC=CC=C3)C(=O)O |
| InChIKey | IVXOVTQLQGFEFD-MHORFTMASA-N |
Product Overview
1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid (CAS 5451-06-9), with molecular formula C22H28N2O7 and molecular weight 432.18964 g/mol. IUPAC: (2S,3aS,7aS)-1-[(4R)-4-carboxy-4-(phenylmethoxycarbonylamino)butanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid.