2-[(phenylmethyl)-(3-phosphonopentan-3-yl)amino]ethanoic acid

Systemtic Name: 2-[(phenylmethyl)-(3-phosphonopentan-3-yl)amino]ethanoic acid Openeye Name: 2-[benzyl-(1-ethyl-1-phosphono-propyl)amino]acetic acid CAS Name: 2-[(phenylmethyl)-(3-phosphonopentan-3-yl)amino]acetic acid IUPAC Name: 2-[benzyl(3-phosphonopentan-3-yl)amino]acetic acid Traditional Name: 2-[benzyl-(1-ethyl-1-phosphono-propyl)amino]acetic acid Formula: C14H22NO5P MolecularWeight: 315.301941

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(N(CC1=CC=CC=C1)CC(=O)O)P(=O)(O)O

Isomeric SMILES

CCC(CC)(N(CC1=CC=CC=C1)CC(=O)O)P(=O)(O)O

InChI

InChI=1S/C14H22NO5P/c1-3-14(4-2,21(18,19)20)15(11-13(16)17)10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,16,17)(H2,18,19,20)