6-azanyl-2-[(1-oxidanylidene-4-phenyl-1-phenylmethoxy-butan-2-yl)amino]hexanoic acid hydrochloride

Systemtic Name: 6-azanyl-2-[(1-oxidanylidene-4-phenyl-1-phenylmethoxy-butan-2-yl)amino]hexanoic acid hydrochloride Openeye Name: 6-amino-2-[(1-benzyloxycarbonyl-3-phenyl-propyl)amino]hexanoic acid hydrochloride CAS Name: 6-amino-2-[(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)amino]hexanoic acid hydrochloride IUPAC Name: 6-amino-2-[(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)amino]hexanoic acid hydrochloride Traditional Name: 6-amino-2-[(1-carbobenzoxy-3-phenyl-propyl)amino]hexanoic acid hydrochloride Formula: C23H31ClN2O4 MolecularWeight: 434.95624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)OCC2=CC=CC=C2)NC(CCCCN)C(=O)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)OCC2=CC=CC=C2)NC(CCCCN)C(=O)O.Cl

InChI

InChI=1S/C23H30N2O4.ClH/c24-16-8-7-13-20(22(26)27)25-21(15-14-18-9-3-1-4-10-18)23(28)29-17-19-11-5-2-6-12-19;/h1-6,9-12,20-21,25H,7-8,13-17,24H2,(H,26,27);1H