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

Systemtic Name: 1-[1-[[4-azanyl-4-oxidanylidene-2-(quinolin-2-ylcarbonylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1-[[4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-[[4-amino-1,4-dioxo-2-[[oxo(2-quinolinyl)methyl]amino]butyl]amino]-2-hydroxy-4-phenylbutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-[[4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1-[[4-amino-4-keto-2-(quinaldoylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]proline Formula: C29H33N5O6 MolecularWeight: 547.60222

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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)C3=NC4=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)C3=NC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C29H33N5O6/c30-25(36)17-22(32-27(37)21-14-13-19-9-4-5-10-20(19)31-21)28(38)33-26(34-16-6-11-23(34)29(39)40)24(35)15-12-18-7-2-1-3-8-18/h1-5,7-10,13-14,22-24,26,35H,6,11-12,15-17H2,(H2,30,36)(H,32,37)(H,33,38)(H,39,40)