methyl (2S)-2-(azepan-1-ylcarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-(azepan-1-ylcarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-(azepane-1-carbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[1-azepanyl(oxo)methyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-(azepane-1-carbonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(azepane-1-carbonylamino)-4-(methylthio)butyric acid methyl ester Formula: C13H24N2O3S MolecularWeight: 288.40626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)N1CCCCCC1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)N1CCCCCC1

InChI

InChI=1S/C13H24N2O3S/c1-18-12(16)11(7-10-19-2)14-13(17)15-8-5-3-4-6-9-15/h11H,3-10H2,1-2H3,(H,14,17)/t11-/m0/s1