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

Systemtic Name: 3-[2-(cyanomethylsulfanyl)ethanoylamino]butanoic acid Openeye Name: 3-[[2-(cyanomethylsulfanyl)acetyl]amino]butanoic acid CAS Name: 3-[[2-(cyanomethylthio)-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-(cyanomethylsulfanyl)acetyl]amino]butanoic acid Traditional Name: 3-[[2-(cyanomethylthio)acetyl]amino]butyric acid Formula: C8H12N2O3S MolecularWeight: 216.25748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N2O3S/c1-6(4-8(12)13)10-7(11)5-14-3-2-9/h6H,3-5H2,1H3,(H,10,11)(H,12,13)