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

Systemtic Name: (2S)-2-(azepan-1-ylcarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-(azepane-1-carbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[1-azepanyl(oxo)methyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-(azepane-1-carbonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(azepane-1-carbonylamino)-4-(methylthio)butyrate Formula: C12H21N2O3S- MolecularWeight: 273.37174

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)N1CCCCCC1

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)N1CCCCCC1

InChI

InChI=1S/C12H22N2O3S/c1-18-9-6-10(11(15)16)13-12(17)14-7-4-2-3-5-8-14/h10H,2-9H2,1H3,(H,13,17)(H,15,16)/p-1/t10-/m0/s1