hexadecyl (2S)-2-[(3-bromophenyl)carbonylamino]propanoate

Systemtic Name: hexadecyl (2S)-2-[(3-bromophenyl)carbonylamino]propanoate Openeye Name: hexadecyl (2S)-2-[(3-bromobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-bromophenyl)-oxomethyl]amino]propanoic acid hexadecyl ester IUPAC Name: hexadecyl (2S)-2-[(3-bromobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3-bromobenzoyl)amino]propionic acid cetyl ester Formula: C26H42BrNO3 MolecularWeight: 496.52058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42BrNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31-26(30)22(2)28-25(29)23-18-17-19-24(27)21-23/h17-19,21-22H,3-16,20H2,1-2H3,(H,28,29)/t22-/m0/s1