(phenylmethyl) (3S)-4-azanyl-3-(2-diethoxyphosphorylethanoylamino)-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (3S)-4-azanyl-3-(2-diethoxyphosphorylethanoylamino)-4-oxidanylidene-butanoate Openeye Name: benzyl (3S)-4-amino-3-[(2-diethoxyphosphorylacetyl)amino]-4-oxo-butanoate CAS Name: (3S)-4-amino-3-[(2-diethoxyphosphoryl-1-oxoethyl)amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-4-amino-3-[(2-diethoxyphosphorylacetyl)amino]-4-oxobutanoate Traditional Name: (3S)-4-amino-3-[(2-diethoxyphosphorylacetyl)amino]-4-keto-butyric acid benzyl ester Formula: C17H25N2O7P MolecularWeight: 400.363361

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)N)OCC

Isomeric SMILES

CCOP(=O)(CC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)N)OCC

InChI

InChI=1S/C17H25N2O7P/c1-3-25-27(23,26-4-2)12-15(20)19-14(17(18)22)10-16(21)24-11-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H2,18,22)(H,19,20)/t14-/m0/s1