2-[2-(cyanomethylsulfanyl)ethanoylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[2-(cyanomethylsulfanyl)ethanoylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[2-(cyanomethylthio)-1-oxoethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[2-(cyanomethylthio)acetyl]amino]-4-mesyl-butyric acid Formula: C9H14N2O5S2 MolecularWeight: 294.34786

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)CSCC#N

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)CSCC#N

InChI

InChI=1S/C9H14N2O5S2/c1-18(15,16)5-2-7(9(13)14)11-8(12)6-17-4-3-10/h7H,2,4-6H2,1H3,(H,11,12)(H,13,14)