heptadecyl (2S)-2-[(4-methylphenyl)carbonylamino]propanoate

Systemtic Name: heptadecyl (2S)-2-[(4-methylphenyl)carbonylamino]propanoate Openeye Name: heptadecyl (2S)-2-[(4-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-methylphenyl)-oxomethyl]amino]propanoic acid heptadecyl ester IUPAC Name: heptadecyl (2S)-2-[(4-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(p-toluoylamino)propionic acid heptadecyl ester Formula: C28H47NO3 MolecularWeight: 445.67768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC(=O)[C@H](C)NC(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C28H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32-28(31)25(3)29-27(30)26-21-19-24(2)20-22-26/h19-22,25H,4-18,23H2,1-3H3,(H,29,30)/t25-/m0/s1