ethyl (2S)-2-(10-bromanyldecylcarbamoylamino)-6-(dodecanoylamino)hexanoate

Systemtic Name: ethyl (2S)-2-(10-bromanyldecylcarbamoylamino)-6-(dodecanoylamino)hexanoate Openeye Name: ethyl (2S)-2-(10-bromodecylcarbamoylamino)-6-(dodecanoylamino)hexanoate CAS Name: (2S)-2-[[(10-bromodecylamino)-oxomethyl]amino]-6-(1-oxododecylamino)hexanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(10-bromodecylcarbamoylamino)-6-(dodecanoylamino)hexanoate Traditional Name: (2S)-2-(10-bromodecylcarbamoylamino)-6-(lauroylamino)hexanoic acid ethyl ester Formula: C31H60BrN3O4 MolecularWeight: 618.7298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCCCCC(C(=O)OCC)NC(=O)NCCCCCCCCCCBr

Isomeric SMILES

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

InChI

InChI=1S/C31H60BrN3O4/c1-3-5-6-7-8-9-12-15-18-24-29(36)33-26-22-19-23-28(30(37)39-4-2)35-31(38)34-27-21-17-14-11-10-13-16-20-25-32/h28H,3-27H2,1-2H3,(H,33,36)(H2,34,35,38)/t28-/m0/s1