2-[3-[(3-benzamido-2-oxidanyl-4-phenyl-butyl)amino]-2-oxidanylidene-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(3-benzamido-2-oxidanyl-4-phenyl-butyl)amino]-2-oxidanylidene-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-[(3-benzamido-2-hydroxy-4-phenyl-butyl)amino]-2-oxo-azepan-1-yl]acetic acid CAS Name: 2-[3-[(3-benzamido-2-hydroxy-4-phenylbutyl)amino]-2-oxo-1-azepanyl]acetic acid IUPAC Name: 2-[3-[(3-benzamido-2-hydroxy-4-phenylbutyl)amino]-2-oxoazepan-1-yl]acetic acid Traditional Name: 2-[3-[(3-benzamido-2-hydroxy-4-phenyl-butyl)amino]-2-keto-azepan-1-yl]acetic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NCC(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)O)CC(=O)O

Isomeric SMILES

C1CCN(C(=O)C(C1)NCC(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)O)CC(=O)O

InChI

InChI=1S/C25H31N3O5/c29-22(16-26-20-13-7-8-14-28(25(20)33)17-23(30)31)21(15-18-9-3-1-4-10-18)27-24(32)19-11-5-2-6-12-19/h1-6,9-12,20-22,26,29H,7-8,13-17H2,(H,27,32)(H,30,31)