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

Systemtic Name: 4-methylsulfanyl-2-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]butanoic acid Traditional Name: 2-[[2-(2-ketoazepan-1-yl)acetyl]amino]-4-(methylthio)butyric acid Formula: C13H22N2O4S MolecularWeight: 302.38978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O4S/c1-20-8-6-10(13(18)19)14-11(16)9-15-7-4-2-3-5-12(15)17/h10H,2-9H2,1H3,(H,14,16)(H,18,19)