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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-(octanoylamino)butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-(octanoylamino)butanoate CAS Name: (2S)-4-(methylthio)-2-(1-oxooctylamino)butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-(octanoylamino)butanoate Traditional Name: (2S)-2-(caprylylamino)-4-(methylthio)butyric acid methyl ester Formula: C14H27NO3S MolecularWeight: 289.43408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H27NO3S/c1-4-5-6-7-8-9-13(16)15-12(10-11-19-3)14(17)18-2/h12H,4-11H2,1-3H3,(H,15,16)/t12-/m0/s1