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

Systemtic Name: 1-[1-[[4-azanyl-4-oxidanylidene-2-[(phenylmethyl)carbamoylamino]butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1-[[4-amino-2-(benzylcarbamoylamino)-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-[[4-amino-1,4-dioxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]butyl]amino]-2-hydroxy-4-phenylbutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-[[4-amino-2-(benzylcarbamoylamino)-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1-[[4-amino-2-(benzylcarbamoylamino)-4-keto-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]proline Formula: C27H35N5O6 MolecularWeight: 525.5967

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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)NCC3=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)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H35N5O6/c28-23(34)16-20(30-27(38)29-17-19-10-5-2-6-11-19)25(35)31-24(32-15-7-12-21(32)26(36)37)22(33)14-13-18-8-3-1-4-9-18/h1-6,8-11,20-22,24,33H,7,12-17H2,(H2,28,34)(H,31,35)(H,36,37)(H2,29,30,38)