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

Systemtic Name: octadecyl (2S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate Openeye Name: octadecyl (2S)-2-(isobutoxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S)-3-methyl-2-[[2-methylpropoxy(oxo)methyl]amino]pentanoic acid octadecyl ester IUPAC Name: octadecyl (2S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate Traditional Name: (2S)-2-(isobutoxycarbonylamino)-3-methyl-valeric acid stearyl ester Formula: C29H57NO4 MolecularWeight: 483.76718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H57NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33-28(31)27(26(5)7-2)30-29(32)34-24-25(3)4/h25-27H,6-24H2,1-5H3,(H,30,32)/t26?,27-/m0/s1