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

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

Isomeric SMILES

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

InChI

InChI=1S/C27H53NO4/c1-5-8-10-11-12-13-14-15-16-17-18-19-20-21-23-31-26(29)25(24(4)7-3)28-27(30)32-22-9-6-2/h24-25H,5-23H2,1-4H3,(H,28,30)/t24?,25-/m0/s1