2-(hexanoylamino)-2-methyl-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-(hexanoylamino)-2-methyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-(hexanoylamino)-2-methyl-4-methylsulfanyl-butanoic acid CAS Name: 2-methyl-4-(methylthio)-2-(1-oxohexylamino)butanoic acid IUPAC Name: 2-(hexanoylamino)-2-methyl-4-methylsulfanylbutanoic acid Traditional Name: 2-(caproylamino)-2-methyl-4-(methylthio)butyric acid Formula: C12H23NO3S MolecularWeight: 261.38092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(C)(CCSC)C(=O)O

Isomeric SMILES

CCCCCC(=O)NC(C)(CCSC)C(=O)O

InChI

InChI=1S/C12H23NO3S/c1-4-5-6-7-10(14)13-12(2,11(15)16)8-9-17-3/h4-9H2,1-3H3,(H,13,14)(H,15,16)