7-[2-(cyanomethylsulfanyl)ethanoylamino]heptanoic acid

Systemtic Name: 7-[2-(cyanomethylsulfanyl)ethanoylamino]heptanoic acid Openeye Name: 7-[[2-(cyanomethylsulfanyl)acetyl]amino]heptanoic acid CAS Name: 7-[[2-(cyanomethylthio)-1-oxoethyl]amino]heptanoic acid IUPAC Name: 7-[[2-(cyanomethylsulfanyl)acetyl]amino]heptanoic acid Traditional Name: 7-[[2-(cyanomethylthio)acetyl]amino]enanthic acid Formula: C11H18N2O3S MolecularWeight: 258.33722

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCNC(=O)CSCC#N)CCC(=O)O

Isomeric SMILES

C(CCCNC(=O)CSCC#N)CCC(=O)O

InChI

InChI=1S/C11H18N2O3S/c12-6-8-17-9-10(14)13-7-4-2-1-3-5-11(15)16/h1-5,7-9H2,(H,13,14)(H,15,16)