2-(octadecanoylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(octadecanoylamino)-3-phenyl-propanoic acid Openeye Name: 2-(octadecanoylamino)-3-phenyl-propanoic acid CAS Name: 2-(1-oxooctadecylamino)-3-phenylpropanoic acid IUPAC Name: 2-(octadecanoylamino)-3-phenylpropanoic acid Traditional Name: 3-phenyl-2-stearamido-propionic acid Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(29)28-25(27(30)31)23-24-20-17-16-18-21-24/h16-18,20-21,25H,2-15,19,22-23H2,1H3,(H,28,29)(H,30,31)