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

Systemtic Name: octadecyl (2S)-2-(ethoxycarbonylamino)-3-methyl-pentanoate Openeye Name: octadecyl (2S)-2-(ethoxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S)-2-(ethoxycarbonylamino)-3-methylpentanoic acid octadecyl ester IUPAC Name: octadecyl (2S)-2-(ethoxycarbonylamino)-3-methylpentanoate Traditional Name: (2S)-2-(carbethoxyamino)-3-methyl-valeric acid stearyl ester Formula: C27H53NO4 MolecularWeight: 455.71402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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