5-fluoranyl-3-[[4-[[(3-methyl-4-oxidanyl-phenyl)sulfonylamino]methyl]phenyl]carbonylamino]-4-oxidanyl-pentanoic acid

Systemtic Name: 5-fluoranyl-3-[[4-[[(3-methyl-4-oxidanyl-phenyl)sulfonylamino]methyl]phenyl]carbonylamino]-4-oxidanyl-pentanoic acid Openeye Name: 5-fluoro-4-hydroxy-3-[[4-[[(4-hydroxy-3-methyl-phenyl)sulfonylamino]methyl]benzoyl]amino]pentanoic acid CAS Name: 5-fluoro-4-hydroxy-3-[[[4-[[(4-hydroxy-3-methylphenyl)sulfonylamino]methyl]phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-fluoro-4-hydroxy-3-[[4-[[(4-hydroxy-3-methylphenyl)sulfonylamino]methyl]benzoyl]amino]pentanoic acid Traditional Name: 5-fluoro-4-hydroxy-3-[[4-[[(4-hydroxy-3-methyl-phenyl)sulfonylamino]methyl]benzoyl]amino]valeric acid Formula: C20H23FN2O7S MolecularWeight: 454.469223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NC(CC(=O)O)C(CF)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NC(CC(=O)O)C(CF)O)O

InChI

InChI=1S/C20H23FN2O7S/c1-12-8-15(6-7-17(12)24)31(29,30)22-11-13-2-4-14(5-3-13)20(28)23-16(9-19(26)27)18(25)10-21/h2-8,16,18,22,24-25H,9-11H2,1H3,(H,23,28)(H,26,27)