(phenylmethyl) N-[(2S)-6-(ethanethioylamino)-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-6-(ethanethioylamino)-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-5-(ethanethioylamino)-1-(phenylcarbamoyl)pentyl]carbamate CAS Name: N-[(2S)-1-anilino-1-oxo-6-(1-sulfanylideneethylamino)hexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-anilino-6-(ethanethioylamino)-1-oxohexan-2-yl]carbamate Traditional Name: N-[(1S)-1-(phenylcarbamoyl)-5-(thioacetylamino)pentyl]carbamic acid benzyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NCCCCC(C(=O)NC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=S)NCCCC[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O3S/c1-17(29)23-15-9-8-14-20(21(26)24-19-12-6-3-7-13-19)25-22(27)28-16-18-10-4-2-5-11-18/h2-7,10-13,20H,8-9,14-16H2,1H3,(H,23,29)(H,24,26)(H,25,27)/t20-/m0/s1