1-[1-[[4-azanyl-4-oxidanylidene-2-(3-phenylpropanoylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-[[4-azanyl-4-oxidanylidene-2-(3-phenylpropanoylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1-[[4-amino-4-oxo-2-(3-phenylpropanoylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-[[4-amino-1,4-dioxo-2-[(1-oxo-3-phenylpropyl)amino]butyl]amino]-2-hydroxy-4-phenylbutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-[[4-amino-4-oxo-2-(3-phenylpropanoylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1-[[4-amino-2-(hydrocinnamoylamino)-4-keto-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]proline Formula: C28H36N4O6 MolecularWeight: 524.60864

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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)CCC3=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)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H36N4O6/c29-24(34)18-21(30-25(35)16-14-20-10-5-2-6-11-20)27(36)31-26(32-17-7-12-22(32)28(37)38)23(33)15-13-19-8-3-1-4-9-19/h1-6,8-11,21-23,26,33H,7,12-18H2,(H2,29,34)(H,30,35)(H,31,36)(H,37,38)