(2S)-2-methyl-2-(2-phenylethanoylamino)-4-phosphonato-butanoate

Systemtic Name: (2S)-2-methyl-2-(2-phenylethanoylamino)-4-phosphonato-butanoate Openeye Name: (2S)-2-methyl-2-[(2-phenylacetyl)amino]-4-phosphonato-butanoate CAS Name: (2S)-2-methyl-2-[(1-oxo-2-phenylethyl)amino]-4-phosphonatobutanoate IUPAC Name: (2S)-2-methyl-2-[(2-phenylacetyl)amino]-4-phosphonatobutanoate Traditional Name: (2S)-2-methyl-2-[(2-phenylacetyl)amino]-4-phosphonato-butyrate Formula: C13H15NO6P-3 MolecularWeight: 312.235061

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCP(=O)([O-])[O-])(C(=O)[O-])NC(=O)CC1=CC=CC=C1

Isomeric SMILES

C[C@](CCP(=O)([O-])[O-])(C(=O)[O-])NC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C13H18NO6P/c1-13(12(16)17,7-8-21(18,19)20)14-11(15)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,15)(H,16,17)(H2,18,19,20)/p-3/t13-/m0/s1