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

Systemtic Name: 3-[4-(3-phosphonopentan-3-yl)phenyl]-2-(tetradecanoylamino)propanoic acid Openeye Name: 3-[4-(1-ethyl-1-phosphono-propyl)phenyl]-2-(tetradecanoylamino)propanoic acid CAS Name: 2-(1-oxotetradecylamino)-3-[4-(3-phosphonopentan-3-yl)phenyl]propanoic acid IUPAC Name: 3-[4-(3-phosphonopentan-3-yl)phenyl]-2-(tetradecanoylamino)propanoic acid Traditional Name: 3-[4-(1-ethyl-1-phosphono-propyl)phenyl]-2-(tetradecanoylamino)propionic acid Formula: C28H48NO6P MolecularWeight: 525.657581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H48NO6P/c1-4-7-8-9-10-11-12-13-14-15-16-17-26(30)29-25(27(31)32)22-23-18-20-24(21-19-23)28(5-2,6-3)36(33,34)35/h18-21,25H,4-17,22H2,1-3H3,(H,29,30)(H,31,32)(H2,33,34,35)