hexadecyl (2S)-3-methyl-2-(propoxycarbonylamino)pentanoate

Systemtic Name: hexadecyl (2S)-3-methyl-2-(propoxycarbonylamino)pentanoate Openeye Name: hexadecyl (2S)-3-methyl-2-(propoxycarbonylamino)pentanoate CAS Name: (2S)-3-methyl-2-[[oxo(propoxy)methyl]amino]pentanoic acid hexadecyl ester IUPAC Name: hexadecyl (2S)-3-methyl-2-(propoxycarbonylamino)pentanoate Traditional Name: (2S)-3-methyl-2-(propoxycarbonylamino)valeric acid cetyl ester Formula: C26H51NO4 MolecularWeight: 441.68744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H51NO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30-25(28)24(23(4)7-3)27-26(29)31-21-6-2/h23-24H,5-22H2,1-4H3,(H,27,29)/t23?,24-/m0/s1