(2S)-2-[2-(azepan-1-ium-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(azepan-1-ium-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-4-(methylthio)butyrate Formula: C13H24N2O3S MolecularWeight: 288.40626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C[NH+]1CCCCCC1

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)C[NH+]1CCCCCC1

InChI

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