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

Systemtic Name: 1-[[3-azanyl-4-(4-methylsulfonylphenyl)-2-oxidanyl-butanoyl]amino]cyclopentane-1-carboxylic acid Openeye Name: 1-[[3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)butanoyl]amino]cyclopentanecarboxylic acid CAS Name: 1-[[3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)-1-oxobutyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)butanoyl]amino]cyclopentane-1-carboxylic acid Traditional Name: 1-[[3-amino-2-hydroxy-4-(4-mesylphenyl)butanoyl]amino]cyclopentanecarboxylic acid Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC(C(C(=O)NC2(CCCC2)C(=O)O)O)N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(C(C(=O)NC2(CCCC2)C(=O)O)O)N

InChI

InChI=1S/C17H24N2O6S/c1-26(24,25)12-6-4-11(5-7-12)10-13(18)14(20)15(21)19-17(16(22)23)8-2-3-9-17/h4-7,13-14,20H,2-3,8-10,18H2,1H3,(H,19,21)(H,22,23)