2-[[4-[1,2-bis(oxidanyl)-2-pyridin-3-yl-ethyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[4-[1,2-bis(oxidanyl)-2-pyridin-3-yl-ethyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[4-[1,2-dihydroxy-2-(3-pyridyl)ethyl]-2-phenyl-benzoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[[4-[1,2-dihydroxy-2-(3-pyridinyl)ethyl]-2-phenylphenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[4-(1,2-dihydroxy-2-pyridin-3-ylethyl)-2-phenylbenzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[4-[1,2-dihydroxy-2-(3-pyridyl)ethyl]-2-phenyl-benzoyl]amino]-4-mesyl-butyric acid Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C(C(C2=CN=CC=C2)O)O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C(C(C2=CN=CC=C2)O)O)C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O7S/c1-35(33,34)13-11-21(25(31)32)27-24(30)19-10-9-17(14-20(19)16-6-3-2-4-7-16)22(28)23(29)18-8-5-12-26-15-18/h2-10,12,14-15,21-23,28-29H,11,13H2,1H3,(H,27,30)(H,31,32)