(2S)-4-methylsulfanyl-2-(2-phenylsulfanylethanoylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide

Systemtic Name: (2S)-4-methylsulfanyl-2-(2-phenylsulfanylethanoylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide Openeye Name: (2S)-4-methylsulfanyl-2-[(2-phenylsulfanylacetyl)amino]-N-(thiazol-4-ylmethyl)butanamide CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-(phenylthio)ethyl]amino]-N-(4-thiazolylmethyl)butanamide IUPAC Name: (2S)-4-methylsulfanyl-2-[(2-phenylsulfanylacetyl)amino]-N-(1,3-thiazol-4-ylmethyl)butanamide Traditional Name: (2S)-4-(methylthio)-2-[[2-(phenylthio)acetyl]amino]-N-(thiazol-4-ylmethyl)butyramide Formula: C17H21N3O2S3 MolecularWeight: 395.56254

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CSC=N1)NC(=O)CSC2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CSC=N1)NC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O2S3/c1-23-8-7-15(17(22)18-9-13-10-24-12-19-13)20-16(21)11-25-14-5-3-2-4-6-14/h2-6,10,12,15H,7-9,11H2,1H3,(H,18,22)(H,20,21)/t15-/m0/s1