2-[5-aminocarbonyl-9-(3-fluorophenyl)-2-methyl-7-oxidanyl-8-(quinoxalin-2-ylcarbonylamino)nonan-2-yl]oxy-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-(3-fluorophenyl)-2-methyl-7-oxidanyl-8-(quinoxalin-2-ylcarbonylamino)nonan-2-yl]oxy-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-carbamoyl-8-(3-fluorophenyl)-6-hydroxy-1,1-dimethyl-7-(quinoxaline-2-carbonylamino)octoxy]-2-oxo-acetic acid CAS Name: 2-[5-carbamoyl-9-(3-fluorophenyl)-7-hydroxy-2-methyl-8-[[oxo(2-quinoxalinyl)methyl]amino]nonan-2-yl]oxy-2-oxoacetic acid IUPAC Name: 2-[5-carbamoyl-9-(3-fluorophenyl)-7-hydroxy-2-methyl-8-(quinoxaline-2-carbonylamino)nonan-2-yl]oxy-2-oxoacetic acid Traditional Name: 2-[4-carbamoyl-8-(3-fluorophenyl)-6-hydroxy-1,1-dimethyl-7-(quinoxaline-2-carbonylamino)octoxy]-2-keto-acetic acid Formula: C28H31FN4O7 MolecularWeight: 554.566743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(CC(C(CC1=CC(=CC=C1)F)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)N)OC(=O)C(=O)O

Isomeric SMILES

CC(C)(CCC(CC(C(CC1=CC(=CC=C1)F)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)N)OC(=O)C(=O)O

InChI

InChI=1S/C28H31FN4O7/c1-28(2,40-27(39)26(37)38)11-10-17(24(30)35)14-23(34)21(13-16-6-5-7-18(29)12-16)33-25(36)22-15-31-19-8-3-4-9-20(19)32-22/h3-9,12,15,17,21,23,34H,10-11,13-14H2,1-2H3,(H2,30,35)(H,33,36)(H,37,38)