(2R)-2-(2-phenylethanoylamino)-8-phosphonato-octanoate

Systemtic Name: (2R)-2-(2-phenylethanoylamino)-8-phosphonato-octanoate Openeye Name: (2R)-2-[(2-phenylacetyl)amino]-8-phosphonato-octanoate CAS Name: (2R)-2-[(1-oxo-2-phenylethyl)amino]-8-phosphonatooctanoate IUPAC Name: (2R)-2-[(2-phenylacetyl)amino]-8-phosphonatooctanoate Traditional Name: (2R)-2-[(2-phenylacetyl)amino]-8-phosphonato-caprylate Formula: C16H21NO6P-3 MolecularWeight: 354.314801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(CCCCCCP(=O)([O-])[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N[C@H](CCCCCCP(=O)([O-])[O-])C(=O)[O-]

InChI

InChI=1S/C16H24NO6P/c18-15(12-13-8-4-3-5-9-13)17-14(16(19)20)10-6-1-2-7-11-24(21,22)23/h3-5,8-9,14H,1-2,6-7,10-12H2,(H,17,18)(H,19,20)(H2,21,22,23)/p-3/t14-/m1/s1