heptadecyl (2S)-2-(ethoxycarbonylamino)-3-methyl-pentanoate

Systemtic Name: heptadecyl (2S)-2-(ethoxycarbonylamino)-3-methyl-pentanoate Openeye Name: heptadecyl (2S)-2-(ethoxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S)-2-(ethoxycarbonylamino)-3-methylpentanoic acid heptadecyl ester IUPAC Name: heptadecyl (2S)-2-(ethoxycarbonylamino)-3-methylpentanoate Traditional Name: (2S)-2-(carbethoxyamino)-3-methyl-valeric acid heptadecyl ester Formula: C26H51NO4 MolecularWeight: 441.68744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H51NO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-31-25(28)24(23(4)6-2)27-26(29)30-7-3/h23-24H,5-22H2,1-4H3,(H,27,29)/t23?,24-/m0/s1