1-[1-[[4-azanyl-4-oxidanylidene-2-(4-phenylbutanoylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-[[4-azanyl-4-oxidanylidene-2-(4-phenylbutanoylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1-[[4-amino-4-oxo-2-(4-phenylbutanoylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-[[4-amino-1,4-dioxo-2-[(1-oxo-4-phenylbutyl)amino]butyl]amino]-2-hydroxy-4-phenylbutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-[[4-amino-4-oxo-2-(4-phenylbutanoylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1-[[4-amino-4-keto-2-(4-phenylbutanoylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]proline Formula: C29H38N4O6 MolecularWeight: 538.63522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C(CCC2=CC=CC=C2)O)NC(=O)C(CC(=O)N)NC(=O)CCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C(CCC2=CC=CC=C2)O)NC(=O)C(CC(=O)N)NC(=O)CCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C29H38N4O6/c30-25(35)19-22(31-26(36)15-7-13-20-9-3-1-4-10-20)28(37)32-27(33-18-8-14-23(33)29(38)39)24(34)17-16-21-11-5-2-6-12-21/h1-6,9-12,22-24,27,34H,7-8,13-19H2,(H2,30,35)(H,31,36)(H,32,37)(H,38,39)