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

Systemtic Name: 2-[3-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4-(phenylmethoxycarbonylamino)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(benzyloxycarbonylamino)-3-(2-methoxy-2-oxo-ethyl)-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[3-(2-methoxy-2-oxoethyl)-2-oxo-4-(phenylmethoxycarbonylamino)-1-piperazinyl]acetic acid IUPAC Name: 2-[3-(2-methoxy-2-oxoethyl)-2-oxo-4-(phenylmethoxycarbonylamino)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(benzyloxycarbonylamino)-2-keto-3-(2-keto-2-methoxy-ethyl)piperazino]acetic acid Formula: C17H21N3O7 MolecularWeight: 379.36454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)N(CCN1NC(=O)OCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

COC(=O)CC1C(=O)N(CCN1NC(=O)OCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C17H21N3O7/c1-26-15(23)9-13-16(24)19(10-14(21)22)7-8-20(13)18-17(25)27-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,18,25)(H,21,22)