4-(methylamino)-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 4-(methylamino)-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-4-(methylamino)-4-oxo-butanoic acid CAS Name: 4-(methylamino)-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-(methylamino)-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-4-keto-4-(methylamino)butyric acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC(C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CNC(=O)CC(C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H16N2O5/c1-14-11(16)7-10(12(17)18)15-13(19)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,16)(H,15,19)(H,17,18)