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

Systemtic Name: hexadecyl (2S)-2-[(4-methylphenyl)carbonylamino]propanoate Openeye Name: hexadecyl (2S)-2-[(4-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-methylphenyl)-oxomethyl]amino]propanoic acid hexadecyl ester IUPAC Name: hexadecyl (2S)-2-[(4-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(p-toluoylamino)propionic acid cetyl ester Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31-27(30)24(3)28-26(29)25-20-18-23(2)19-21-25/h18-21,24H,4-17,22H2,1-3H3,(H,28,29)/t24-/m0/s1