(2S)-4-methylsulfanyl-2-[(phenylmethyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)butanamide

Systemtic Name: (2S)-4-methylsulfanyl-2-[(phenylmethyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)butanamide Openeye Name: (2S)-2-(benzylsulfonylamino)-4-methylsulfanyl-N-(thiazol-4-ylmethyl)butanamide CAS Name: (2S)-4-(methylthio)-2-[(phenylmethyl)sulfonylamino]-N-(4-thiazolylmethyl)butanamide IUPAC Name: (2S)-2-(benzylsulfonylamino)-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide Traditional Name: (2S)-2-(benzylsulfonylamino)-4-(methylthio)-N-(thiazol-4-ylmethyl)butyramide Formula: C16H21N3O3S3 MolecularWeight: 399.55124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CSC=N1)NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CSC=N1)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H21N3O3S3/c1-23-8-7-15(16(20)17-9-14-10-24-12-18-14)19-25(21,22)11-13-5-3-2-4-6-13/h2-6,10,12,15,19H,7-9,11H2,1H3,(H,17,20)/t15-/m0/s1