2-[2-(cyanomethylsulfanyl)ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-(cyanomethylsulfanyl)ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(cyanomethylthio)-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(cyanomethylthio)acetyl]amino]-3-methyl-butyric acid Formula: C9H14N2O3S MolecularWeight: 230.28406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CSCC#N

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CSCC#N

InChI

InChI=1S/C9H14N2O3S/c1-6(2)8(9(13)14)11-7(12)5-15-4-3-10/h6,8H,4-5H2,1-2H3,(H,11,12)(H,13,14)