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

Systemtic Name: 1-[1-[[4-azanyl-2-(2-naphthalen-2-ylethanoylamino)-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1-[[4-amino-2-[[2-(2-naphthyl)acetyl]amino]-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-[[4-amino-2-[[2-(2-naphthalenyl)-1-oxoethyl]amino]-1,4-dioxobutyl]amino]-2-hydroxy-4-phenylbutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-[[4-amino-2-[(2-naphthalen-2-ylacetyl)amino]-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1-[[4-amino-4-keto-2-[[2-(2-naphthyl)acetyl]amino]butanoyl]amino]-2-hydroxy-4-phenyl-butyl]proline Formula: C31H36N4O6 MolecularWeight: 560.64074

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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)CC3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C(CCC2=CC=CC=C2)O)NC(=O)C(CC(=O)N)NC(=O)CC3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C31H36N4O6/c32-27(37)19-24(33-28(38)18-21-12-14-22-9-4-5-10-23(22)17-21)30(39)34-29(35-16-6-11-25(35)31(40)41)26(36)15-13-20-7-2-1-3-8-20/h1-5,7-10,12,14,17,24-26,29,36H,6,11,13,15-16,18-19H2,(H2,32,37)(H,33,38)(H,34,39)(H,40,41)