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

Systemtic Name: 2-(hexadecanoylamino)-3-[4-(3-phosphonopentan-3-yl)phenyl]propanoic acid Openeye Name: 3-[4-(1-ethyl-1-phosphono-propyl)phenyl]-2-(hexadecanoylamino)propanoic acid CAS Name: 2-(1-oxohexadecylamino)-3-[4-(3-phosphonopentan-3-yl)phenyl]propanoic acid IUPAC Name: 2-(hexadecanoylamino)-3-[4-(3-phosphonopentan-3-yl)phenyl]propanoic acid Traditional Name: 3-[4-(1-ethyl-1-phosphono-propyl)phenyl]-2-palmitamido-propionic acid Formula: C30H52NO6P MolecularWeight: 553.710741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H52NO6P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)31-27(29(33)34)24-25-20-22-26(23-21-25)30(5-2,6-3)38(35,36)37/h20-23,27H,4-19,24H2,1-3H3,(H,31,32)(H,33,34)(H2,35,36,37)