1,3-bis(azanyl)-2-[4-(4-methylsulfonylphenyl)butanoyl]-2-oxidanyl-cyclopropane-1-carboxylic acid

Systemtic Name: 1,3-bis(azanyl)-2-[4-(4-methylsulfonylphenyl)butanoyl]-2-oxidanyl-cyclopropane-1-carboxylic acid Openeye Name: 1,3-diamino-2-hydroxy-2-[4-(4-methylsulfonylphenyl)butanoyl]cyclopropanecarboxylic acid CAS Name: 1,3-diamino-2-hydroxy-2-[4-(4-methylsulfonylphenyl)-1-oxobutyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1,3-diamino-2-hydroxy-2-[4-(4-methylsulfonylphenyl)butanoyl]cyclopropane-1-carboxylic acid Traditional Name: 1,3-diamino-2-hydroxy-2-[4-(4-mesylphenyl)butanoyl]cyclopropanecarboxylic acid Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CCCC(=O)C2(C(C2(C(=O)O)N)N)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CCCC(=O)C2(C(C2(C(=O)O)N)N)O

InChI

InChI=1S/C15H20N2O6S/c1-24(22,23)10-7-5-9(6-8-10)3-2-4-11(18)15(21)12(16)14(15,17)13(19)20/h5-8,12,21H,2-4,16-17H2,1H3,(H,19,20)