(2S)-4-methylsulfanyl-2-(4-thiophen-2-ylbutanoylamino)butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-(4-thiophen-2-ylbutanoylamino)butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[4-(2-thienyl)butanoylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[(1-oxo-4-thiophen-2-ylbutyl)amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-(4-thiophen-2-ylbutanoylamino)butanoate Traditional Name: (2S)-4-(methylthio)-2-[4-(2-thienyl)butanoylamino]butyrate Formula: C13H18NO3S2- MolecularWeight: 300.41692

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)CCCC1=CC=CS1

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)CCCC1=CC=CS1

InChI

InChI=1S/C13H19NO3S2/c1-18-9-7-11(13(16)17)14-12(15)6-2-4-10-5-3-8-19-10/h3,5,8,11H,2,4,6-7,9H2,1H3,(H,14,15)(H,16,17)/p-1/t11-/m0/s1