3-[1-(3-aminophenyl)piperidin-4-yl]-2-azanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 3-[1-(3-aminophenyl)piperidin-4-yl]-2-azanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 2-amino-3-[1-(3-aminophenyl)-4-piperidyl]-2-(benzyloxycarbonylamino)-4-oxo-butanoic acid CAS Name: 2-amino-3-[1-(3-aminophenyl)-4-piperidinyl]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 2-amino-3-[1-(3-aminophenyl)piperidin-4-yl]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 2-amino-3-[1-(3-aminophenyl)-4-piperidyl]-2-(benzyloxycarbonylamino)-4-keto-butyric acid Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C=O)C(C(=O)O)(N)NC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)N

Isomeric SMILES

C1CN(CCC1C(C=O)C(C(=O)O)(N)NC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)N

InChI

InChI=1S/C23H28N4O5/c24-18-7-4-8-19(13-18)27-11-9-17(10-12-27)20(14-28)23(25,21(29)30)26-22(31)32-15-16-5-2-1-3-6-16/h1-8,13-14,17,20H,9-12,15,24-25H2,(H,26,31)(H,29,30)