heptadecyl (2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoate

Systemtic Name: heptadecyl (2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoate Openeye Name: heptadecyl (2S)-2-(isobutoxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[2-methylpropoxy(oxo)methyl]amino]butanoic acid heptadecyl ester IUPAC Name: heptadecyl (2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoate Traditional Name: (2S)-2-(isobutoxycarbonylamino)-3-methyl-butyric acid heptadecyl ester Formula: C27H53NO4 MolecularWeight: 455.71402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H53NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-26(29)25(24(4)5)28-27(30)32-22-23(2)3/h23-25H,6-22H2,1-5H3,(H,28,30)/t25-/m0/s1