2-(2-phenylethanoylamino)-5-phosphono-pentanoic acid

Systemtic Name: 2-(2-phenylethanoylamino)-5-phosphono-pentanoic acid Openeye Name: 2-[(2-phenylacetyl)amino]-5-phosphono-pentanoic acid CAS Name: 2-[(1-oxo-2-phenylethyl)amino]-5-phosphonopentanoic acid IUPAC Name: 2-[(2-phenylacetyl)amino]-5-phosphonopentanoic acid Traditional Name: 2-[(2-phenylacetyl)amino]-5-phosphono-valeric acid Formula: C13H18NO6P MolecularWeight: 315.258881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18NO6P/c15-12(9-10-5-2-1-3-6-10)14-11(13(16)17)7-4-8-21(18,19)20/h1-3,5-6,11H,4,7-9H2,(H,14,15)(H,16,17)(H2,18,19,20)