(2S)-2-[2-(azepan-1-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[2-(azepan-1-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[2-(azepan-1-yl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[2-(1-azepanyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[2-(azepan-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[2-(azepan-1-yl)acetyl]amino]-4-(methylthio)butyric acid Formula: C13H24N2O3S MolecularWeight: 288.40626

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CN1CCCCCC1

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)CN1CCCCCC1

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