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

Systemtic Name: octadecyl (2S)-3-methyl-2-(propoxycarbonylamino)pentanoate Openeye Name: octadecyl (2S)-3-methyl-2-(propoxycarbonylamino)pentanoate CAS Name: (2S)-3-methyl-2-[[oxo(propoxy)methyl]amino]pentanoic acid octadecyl ester IUPAC Name: octadecyl (2S)-3-methyl-2-(propoxycarbonylamino)pentanoate Traditional Name: (2S)-3-methyl-2-(propoxycarbonylamino)valeric acid stearyl ester Formula: C28H55NO4 MolecularWeight: 469.7406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H55NO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-32-27(30)26(25(4)7-3)29-28(31)33-23-6-2/h25-26H,5-24H2,1-4H3,(H,29,31)/t25?,26-/m0/s1