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

Systemtic Name: hexadecyl (2S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate Openeye Name: hexadecyl (2S)-2-(isobutoxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S)-3-methyl-2-[[2-methylpropoxy(oxo)methyl]amino]pentanoic acid hexadecyl ester IUPAC Name: hexadecyl (2S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate Traditional Name: (2S)-2-(isobutoxycarbonylamino)-3-methyl-valeric acid cetyl ester Formula: C27H53NO4 MolecularWeight: 455.71402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H53NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-26(29)25(24(5)7-2)28-27(30)32-22-23(3)4/h23-25H,6-22H2,1-5H3,(H,28,30)/t24?,25-/m0/s1