4-[2-(cyanomethylsulfanyl)ethanoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[2-(cyanomethylsulfanyl)ethanoyl-methyl-amino]butanoic acid Openeye Name: 4-[[2-(cyanomethylsulfanyl)acetyl]-methyl-amino]butanoic acid CAS Name: 4-[[2-(cyanomethylthio)-1-oxoethyl]-methylamino]butanoic acid IUPAC Name: 4-[[2-(cyanomethylsulfanyl)acetyl]-methylamino]butanoic acid Traditional Name: 4-[[2-(cyanomethylthio)acetyl]-methyl-amino]butyric acid Formula: C9H14N2O3S MolecularWeight: 230.28406

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)CSCC#N

Isomeric SMILES

CN(CCCC(=O)O)C(=O)CSCC#N

InChI

InChI=1S/C9H14N2O3S/c1-11(5-2-3-9(13)14)8(12)7-15-6-4-10/h2-3,5-7H2,1H3,(H,13,14)