2-[hexanoyl(methyl)amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[hexanoyl(methyl)amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[hexanoyl(methyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[methyl(1-oxohexyl)amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[hexanoyl(methyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[caproyl(methyl)amino]-4-(methylthio)butyric acid Formula: C12H23NO3S MolecularWeight: 261.38092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(C)C(CCSC)C(=O)O

Isomeric SMILES

CCCCCC(=O)N(C)C(CCSC)C(=O)O

InChI

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