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

Systemtic Name: 5-[4-(3-aminophenyl)piperazin-1-yl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 5-[4-(3-aminophenyl)piperazin-1-yl]-2-(benzyloxycarbonylamino)-5-oxo-pentanoic acid CAS Name: 5-[4-(3-aminophenyl)-1-piperazinyl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-[4-(3-aminophenyl)piperazin-1-yl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 5-[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(=O)CCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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