methyl (2S)-2-(hexanoylamino)-4-methylsulfanyl-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C12H23NO3S/c1-4-5-6-7-11(14)13-10(8-9-17-3)12(15)16-2/h10H,4-9H2,1-3H3,(H,13,14)/t10-/m0/s1