3,5,5-trimethylhexyl (2S)-2-azanyl-6-(dodecanoylamino)hexanoate

Systemtic Name: 3,5,5-trimethylhexyl (2S)-2-azanyl-6-(dodecanoylamino)hexanoate Openeye Name: 3,5,5-trimethylhexyl (2S)-2-amino-6-(dodecanoylamino)hexanoate CAS Name: (2S)-2-amino-6-(1-oxododecylamino)hexanoic acid 3,5,5-trimethylhexyl ester IUPAC Name: 3,5,5-trimethylhexyl (2S)-2-amino-6-(dodecanoylamino)hexanoate Traditional Name: (2S)-2-amino-6-(lauroylamino)hexanoic acid 3,5,5-trimethylhexyl ester Formula: C27H54N2O3 MolecularWeight: 454.72926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCCCCC(C(=O)OCCC(C)CC(C)(C)C)N

Isomeric SMILES

CCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)OCCC(C)CC(C)(C)C)N

InChI

InChI=1S/C27H54N2O3/c1-6-7-8-9-10-11-12-13-14-18-25(30)29-20-16-15-17-24(28)26(31)32-21-19-23(2)22-27(3,4)5/h23-24H,6-22,28H2,1-5H3,(H,29,30)/t23?,24-/m0/s1