hexadecyl (2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoate

Systemtic Name: hexadecyl (2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoate Openeye Name: hexadecyl (2S)-2-(isobutoxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[2-methylpropoxy(oxo)methyl]amino]butanoic acid hexadecyl ester IUPAC Name: hexadecyl (2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoate Traditional Name: (2S)-2-(isobutoxycarbonylamino)-3-methyl-butyric acid cetyl ester Formula: C26H51NO4 MolecularWeight: 441.68744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(C(C)C)NC(=O)OCC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)[C@H](C(C)C)NC(=O)OCC(C)C

InChI

InChI=1S/C26H51NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30-25(28)24(23(4)5)27-26(29)31-21-22(2)3/h22-24H,6-21H2,1-5H3,(H,27,29)/t24-/m0/s1