4-dimethoxyphosphoryl-3-oxidanylidene-2-(phenylmethoxycarbonylamino)-2-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 4-dimethoxyphosphoryl-3-oxidanylidene-2-(phenylmethoxycarbonylamino)-2-[(phenylmethyl)amino]butanoic acid Openeye Name: 2-(benzylamino)-2-(benzyloxycarbonylamino)-4-dimethoxyphosphoryl-3-oxo-butanoic acid CAS Name: 4-dimethoxyphosphoryl-3-oxo-2-(phenylmethoxycarbonylamino)-2-[(phenylmethyl)amino]butanoic acid IUPAC Name: 2-(benzylamino)-4-dimethoxyphosphoryl-3-oxo-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 2-(benzylamino)-2-(benzyloxycarbonylamino)-4-dimethoxyphosphoryl-3-keto-butyric acid Formula: C21H25N2O8P MolecularWeight: 464.405561

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(CC(=O)C(C(=O)O)(NCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)OC

Isomeric SMILES

COP(=O)(CC(=O)C(C(=O)O)(NCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H25N2O8P/c1-29-32(28,30-2)15-18(24)21(19(25)26,22-13-16-9-5-3-6-10-16)23-20(27)31-14-17-11-7-4-8-12-17/h3-12,22H,13-15H2,1-2H3,(H,23,27)(H,25,26)