2-azanyl-1-[3-azanyl-4-(4-methylsulfonylphenyl)-2-oxidanyl-butanoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-azanyl-1-[3-azanyl-4-(4-methylsulfonylphenyl)-2-oxidanyl-butanoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-amino-1-[3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)butanoyl]cyclohexanecarboxylic acid CAS Name: 2-amino-1-[3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)-1-oxobutyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-amino-1-[3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)butanoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-amino-1-[3-amino-2-hydroxy-4-(4-mesylphenyl)butanoyl]cyclohexanecarboxylic acid Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC(C(C(=O)C2(CCCCC2N)C(=O)O)O)N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(C(C(=O)C2(CCCCC2N)C(=O)O)O)N

InChI

InChI=1S/C18H26N2O6S/c1-27(25,26)12-7-5-11(6-8-12)10-13(19)15(21)16(22)18(17(23)24)9-3-2-4-14(18)20/h5-8,13-15,21H,2-4,9-10,19-20H2,1H3,(H,23,24)