2-[4-(3-aminophenyl)piperazin-1-yl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 2-[4-(3-aminophenyl)piperazin-1-yl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 2-[4-(3-aminophenyl)piperazin-1-yl]-2-(benzyloxycarbonylamino)-5-oxo-pentanoic acid CAS Name: 2-[4-(3-aminophenyl)-1-piperazinyl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 2-[4-(3-aminophenyl)piperazin-1-yl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 2-[4-(3-aminophenyl)piperazino]-2-(benzyloxycarbonylamino)-5-keto-valeric acid Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)N)C(CCC=O)(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)N)C(CCC=O)(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

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