(2S)-2-(11-bromanylundecanoylamino)-6-(dodecanoylamino)hexanoic acid

Systemtic Name: (2S)-2-(11-bromanylundecanoylamino)-6-(dodecanoylamino)hexanoic acid Openeye Name: (2S)-2-(11-bromoundecanoylamino)-6-(dodecanoylamino)hexanoic acid CAS Name: (2S)-2-[(11-bromo-1-oxoundecyl)amino]-6-(1-oxododecylamino)hexanoic acid IUPAC Name: (2S)-2-(11-bromoundecanoylamino)-6-(dodecanoylamino)hexanoic acid Traditional Name: (2S)-2-(11-bromoundecanoylamino)-6-(lauroylamino)hexanoic acid Formula: C29H55BrN2O4 MolecularWeight: 575.662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCCCCCCCCCBr

Isomeric SMILES

CCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCBr

InChI

InChI=1S/C29H55BrN2O4/c1-2-3-4-5-6-7-10-13-16-22-27(33)31-25-20-18-21-26(29(35)36)32-28(34)23-17-14-11-8-9-12-15-19-24-30/h26H,2-25H2,1H3,(H,31,33)(H,32,34)(H,35,36)/t26-/m0/s1