methyl (2S)-6-(dodecanoylamino)-2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: methyl (2S)-6-(dodecanoylamino)-2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-6-(dodecanoylamino)hexanoate CAS Name: (2S)-6-(1-oxododecylamino)-2-(phenylmethoxycarbonylamino)hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-(dodecanoylamino)-2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-6-(lauroylamino)hexanoic acid methyl ester Formula: C27H44N2O5 MolecularWeight: 476.64866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCCCCC(C(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C27H44N2O5/c1-3-4-5-6-7-8-9-10-14-20-25(30)28-21-16-15-19-24(26(31)33-2)29-27(32)34-22-23-17-12-11-13-18-23/h11-13,17-18,24H,3-10,14-16,19-22H2,1-2H3,(H,28,30)(H,29,32)/t24-/m0/s1