2-(2-phenylethanoylamino)-4-phosphono-butanoic acid

Systemtic Name: 2-(2-phenylethanoylamino)-4-phosphono-butanoic acid Openeye Name: 2-[(2-phenylacetyl)amino]-4-phosphono-butanoic acid CAS Name: 2-[(1-oxo-2-phenylethyl)amino]-4-phosphonobutanoic acid IUPAC Name: 2-[(2-phenylacetyl)amino]-4-phosphonobutanoic acid Traditional Name: 2-[(2-phenylacetyl)amino]-4-phosphono-butyric acid Formula: C12H16NO6P MolecularWeight: 301.232301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(CCP(=O)(O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(CCP(=O)(O)O)C(=O)O

InChI

InChI=1S/C12H16NO6P/c14-11(8-9-4-2-1-3-5-9)13-10(12(15)16)6-7-20(17,18)19/h1-5,10H,6-8H2,(H,13,14)(H,15,16)(H2,17,18,19)