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

Systemtic Name: 3-[4-(diethoxyphosphorylmethyl)phenyl]-2-(hexadecanoylamino)propanoic acid Openeye Name: 3-[4-(diethoxyphosphorylmethyl)phenyl]-2-(hexadecanoylamino)propanoic acid CAS Name: 3-[4-(diethoxyphosphorylmethyl)phenyl]-2-(1-oxohexadecylamino)propanoic acid IUPAC Name: 3-[4-(diethoxyphosphorylmethyl)phenyl]-2-(hexadecanoylamino)propanoic acid Traditional Name: 3-[4-(diethoxyphosphorylmethyl)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)CP(=O)(OCC)OCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)CP(=O)(OCC)OCC)C(=O)O

InChI

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