4-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]bicyclo[3.1.0]hexane-4,6-dicarboxylic acid

Systemtic Name: 4-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]bicyclo[3.1.0]hexane-4,6-dicarboxylic acid Openeye Name: 4-[(2-amino-4-methylsulfanyl-butanoyl)amino]bicyclo[3.1.0]hexane-4,6-dicarboxylic acid CAS Name: 4-[[2-amino-4-(methylthio)-1-oxobutyl]amino]bicyclo[3.1.0]hexane-4,6-dicarboxylic acid IUPAC Name: 4-[(2-amino-4-methylsulfanylbutanoyl)amino]bicyclo[3.1.0]hexane-4,6-dicarboxylic acid Traditional Name: 4-[[2-amino-4-(methylthio)butanoyl]amino]bicyclo[3.1.0]hexane-4,6-dicarboxylic acid Formula: C13H20N2O5S MolecularWeight: 316.3733

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1(CCC2C1C2C(=O)O)C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)NC1(CCC2C1C2C(=O)O)C(=O)O)N

InChI

InChI=1S/C13H20N2O5S/c1-21-5-3-7(14)10(16)15-13(12(19)20)4-2-6-8(9(6)13)11(17)18/h6-9H,2-5,14H2,1H3,(H,15,16)(H,17,18)(H,19,20)