2-[3-(3-azanylpropyl)-2-oxidanylidene-4-[2-(phenylmethoxycarbonylamino)ethanoyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(3-azanylpropyl)-2-oxidanylidene-4-[2-(phenylmethoxycarbonylamino)ethanoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[3-(3-aminopropyl)-4-[2-(benzyloxycarbonylamino)acetyl]-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[3-(3-aminopropyl)-2-oxo-4-[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[3-(3-aminopropyl)-2-oxo-4-[2-(phenylmethoxycarbonylamino)acetyl]piperazin-1-yl]acetic acid Traditional Name: 2-[3-(3-aminopropyl)-4-[2-(benzyloxycarbonylamino)acetyl]-2-keto-piperazino]acetic acid Formula: C19H26N4O6 MolecularWeight: 406.43294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1CC(=O)O)CCCN)C(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CN(C(C(=O)N1CC(=O)O)CCCN)C(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H26N4O6/c20-8-4-7-15-18(27)22(12-17(25)26)9-10-23(15)16(24)11-21-19(28)29-13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13,20H2,(H,21,28)(H,25,26)