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

Systemtic Name: hexadecyl (2S)-2-(butoxycarbonylamino)-3-methyl-butanoate Openeye Name: hexadecyl (2S)-2-(butoxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[butoxy(oxo)methyl]amino]-3-methylbutanoic acid hexadecyl ester IUPAC Name: hexadecyl (2S)-2-(butoxycarbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(butoxycarbonylamino)-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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C26H51NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-30-25(28)24(23(3)4)27-26(29)31-21-8-6-2/h23-24H,5-22H2,1-4H3,(H,27,29)/t24-/m0/s1