2-(heptanoylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-(heptanoylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2-(heptanoylamino)-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-(1-oxoheptylamino)butanoic acid IUPAC Name: 2-(heptanoylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(enanthylamino)-4-(methylthio)butyric acid Formula: C12H23NO3S MolecularWeight: 261.38092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCCCCCC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C12H23NO3S/c1-3-4-5-6-7-11(14)13-10(12(15)16)8-9-17-2/h10H,3-9H2,1-2H3,(H,13,14)(H,15,16)