2-(dodecanoylamino)-3-[4-(3-phosphonopentan-3-yl)phenyl]propanoic acid

Systemtic Name: 2-(dodecanoylamino)-3-[4-(3-phosphonopentan-3-yl)phenyl]propanoic acid Openeye Name: 2-(dodecanoylamino)-3-[4-(1-ethyl-1-phosphono-propyl)phenyl]propanoic acid CAS Name: 2-(1-oxododecylamino)-3-[4-(3-phosphonopentan-3-yl)phenyl]propanoic acid IUPAC Name: 2-(dodecanoylamino)-3-[4-(3-phosphonopentan-3-yl)phenyl]propanoic acid Traditional Name: 3-[4-(1-ethyl-1-phosphono-propyl)phenyl]-2-(lauroylamino)propionic acid Formula: C26H44NO6P MolecularWeight: 497.604421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)C(CC)(CC)P(=O)(O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)C(CC)(CC)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C26H44NO6P/c1-4-7-8-9-10-11-12-13-14-15-24(28)27-23(25(29)30)20-21-16-18-22(19-17-21)26(5-2,6-3)34(31,32)33/h16-19,23H,4-15,20H2,1-3H3,(H,27,28)(H,29,30)(H2,31,32,33)