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

Systemtic Name: (2S)-4-methylsulfonyl-2-(4-thiophen-2-ylbutanoylamino)butanoate Openeye Name: (2S)-4-methylsulfonyl-2-[4-(2-thienyl)butanoylamino]butanoate CAS Name: (2S)-4-methylsulfonyl-2-[(1-oxo-4-thiophen-2-ylbutyl)amino]butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-(4-thiophen-2-ylbutanoylamino)butanoate Traditional Name: (2S)-4-mesyl-2-[4-(2-thienyl)butanoylamino]butyrate Formula: C13H18NO5S2- MolecularWeight: 332.41572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO5S2/c1-21(18,19)9-7-11(13(16)17)14-12(15)6-2-4-10-5-3-8-20-10/h3,5,8,11H,2,4,6-7,9H2,1H3,(H,14,15)(H,16,17)/p-1/t11-/m0/s1