4-[2-aminocarbonyl-3-[(4-fluoranyl-2-methylsulfonyl-phenyl)methyl]-2-methoxy-4-oxidanyl-5-oxidanylidene-pyrrol-1-yl]butanoic acid

Systemtic Name: 4-[2-aminocarbonyl-3-[(4-fluoranyl-2-methylsulfonyl-phenyl)methyl]-2-methoxy-4-oxidanyl-5-oxidanylidene-pyrrol-1-yl]butanoic acid Openeye Name: 4-[2-carbamoyl-3-[(4-fluoro-2-methylsulfonyl-phenyl)methyl]-4-hydroxy-2-methoxy-5-oxo-pyrrol-1-yl]butanoic acid CAS Name: 4-[2-carbamoyl-3-[(4-fluoro-2-methylsulfonylphenyl)methyl]-4-hydroxy-2-methoxy-5-oxo-1-pyrrolyl]butanoic acid IUPAC Name: 4-[2-carbamoyl-3-[(4-fluoro-2-methylsulfonylphenyl)methyl]-4-hydroxy-2-methoxy-5-oxopyrrol-1-yl]butanoic acid Traditional Name: 4-[2-carbamoyl-3-(4-fluoro-2-mesyl-benzyl)-4-hydroxy-5-keto-2-methoxy-3-pyrrolin-1-yl]butyric acid Formula: C18H21FN2O8S MolecularWeight: 444.431343

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C(=C(C(=O)N1CCCC(=O)O)O)CC2=C(C=C(C=C2)F)S(=O)(=O)C)C(=O)N

Isomeric SMILES

COC1(C(=C(C(=O)N1CCCC(=O)O)O)CC2=C(C=C(C=C2)F)S(=O)(=O)C)C(=O)N

InChI

InChI=1S/C18H21FN2O8S/c1-29-18(17(20)26)12(15(24)16(25)21(18)7-3-4-14(22)23)8-10-5-6-11(19)9-13(10)30(2,27)28/h5-6,9,24H,3-4,7-8H2,1-2H3,(H2,20,26)(H,22,23)