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

Systemtic Name: 2-[3-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4-[2-(phenylmethoxycarbonylamino)ethanoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(benzyloxycarbonylamino)acetyl]-3-(2-methoxy-2-oxo-ethyl)-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[3-(2-methoxy-2-oxoethyl)-2-oxo-4-[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[3-(2-methoxy-2-oxoethyl)-2-oxo-4-[2-(phenylmethoxycarbonylamino)acetyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(benzyloxycarbonylamino)acetyl]-2-keto-3-(2-keto-2-methoxy-ethyl)piperazino]acetic acid Formula: C19H23N3O8 MolecularWeight: 421.40122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)N(CCN1C(=O)CNC(=O)OCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

COC(=O)CC1C(=O)N(CCN1C(=O)CNC(=O)OCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C19H23N3O8/c1-29-17(26)9-14-18(27)21(11-16(24)25)7-8-22(14)15(23)10-20-19(28)30-12-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,20,28)(H,24,25)