[(2S)-1-[(4-carboxycyclohexyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium chloride

Systemtic Name: [(2S)-1-[(4-carboxycyclohexyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium chloride Openeye Name: [(1S)-1-[(4-carboxycyclohexyl)methylcarbamoyl]-3-methylsulfanyl-propyl]ammonium chloride CAS Name: [(2S)-1-[(4-carboxycyclohexyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]ammonium chloride IUPAC Name: [(2S)-1-[(4-carboxycyclohexyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium chloride Traditional Name: [(1S)-1-[(4-carboxycyclohexyl)methylcarbamoyl]-3-(methylthio)propyl]ammonium chloride Formula: C13H25ClN2O3S MolecularWeight: 324.8672

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1CCC(CC1)C(=O)O)[NH3+].[Cl-]

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1CCC(CC1)C(=O)O)[NH3+].[Cl-]

InChI

InChI=1S/C13H24N2O3S.ClH/c1-19-7-6-11(14)12(16)15-8-9-2-4-10(5-3-9)13(17)18;/h9-11H,2-8,14H2,1H3,(H,15,16)(H,17,18);1H/t9?,10?,11-;/m0./s1