1-[6-azanyl-2-[(3-benzamido-2-oxidanyl-4-phenyl-butyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-azanyl-2-[(3-benzamido-2-oxidanyl-4-phenyl-butyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-amino-2-[(3-benzamido-2-hydroxy-4-phenyl-butyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-amino-2-[(3-benzamido-2-hydroxy-4-phenylbutyl)amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-amino-2-[(3-benzamido-2-hydroxy-4-phenylbutyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-amino-2-[(3-benzamido-2-hydroxy-4-phenyl-butyl)amino]hexanoyl]proline Formula: C28H38N4O5 MolecularWeight: 510.62512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NCC(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)NCC(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)O)C(=O)O

InChI

InChI=1S/C28H38N4O5/c29-16-8-7-14-22(27(35)32-17-9-15-24(32)28(36)37)30-19-25(33)23(18-20-10-3-1-4-11-20)31-26(34)21-12-5-2-6-13-21/h1-6,10-13,22-25,30,33H,7-9,14-19,29H2,(H,31,34)(H,36,37)