hexadecyl (2S)-2-(ethoxycarbonylamino)-4-methyl-pentanoate

Systemtic Name: hexadecyl (2S)-2-(ethoxycarbonylamino)-4-methyl-pentanoate Openeye Name: hexadecyl (2S)-2-(ethoxycarbonylamino)-4-methyl-pentanoate CAS Name: (2S)-2-(ethoxycarbonylamino)-4-methylpentanoic acid hexadecyl ester IUPAC Name: hexadecyl (2S)-2-(ethoxycarbonylamino)-4-methylpentanoate Traditional Name: (2S)-2-(carbethoxyamino)-4-methyl-valeric acid cetyl ester Formula: C25H49NO4 MolecularWeight: 427.66086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H49NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30-24(27)23(21-22(3)4)26-25(28)29-6-2/h22-23H,5-21H2,1-4H3,(H,26,28)/t23-/m0/s1