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

Systemtic Name: 2-[2-oxidanylidene-4-[2-(phenylmethoxycarbonylamino)ethanoyl]-3-(phenylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[3-benzyl-4-[2-(benzyloxycarbonylamino)acetyl]-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[2-oxo-4-[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]-3-(phenylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[3-benzyl-2-oxo-4-[2-(phenylmethoxycarbonylamino)acetyl]piperazin-1-yl]acetic acid Traditional Name: 2-[3-benzyl-4-[2-(benzyloxycarbonylamino)acetyl]-2-keto-piperazino]acetic acid Formula: C23H25N3O6 MolecularWeight: 439.4611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1CC(=O)O)CC2=CC=CC=C2)C(=O)CNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(C(=O)N1CC(=O)O)CC2=CC=CC=C2)C(=O)CNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O6/c27-20(14-24-23(31)32-16-18-9-5-2-6-10-18)26-12-11-25(15-21(28)29)22(30)19(26)13-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,24,31)(H,28,29)