4-[[5-aminocarbonyl-9-(3-fluorophenyl)-2-methyl-7-oxidanyl-8-(quinoxalin-2-ylcarbonylamino)nonan-2-yl]oxymethoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-aminocarbonyl-9-(3-fluorophenyl)-2-methyl-7-oxidanyl-8-(quinoxalin-2-ylcarbonylamino)nonan-2-yl]oxymethoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-carbamoyl-8-(3-fluorophenyl)-6-hydroxy-1,1-dimethyl-7-(quinoxaline-2-carbonylamino)octoxy]methoxy]-4-oxo-butanoic acid CAS Name: 4-[[5-carbamoyl-9-(3-fluorophenyl)-7-hydroxy-2-methyl-8-[[oxo(2-quinoxalinyl)methyl]amino]nonan-2-yl]oxymethoxy]-4-oxobutanoic acid IUPAC Name: 4-[[5-carbamoyl-9-(3-fluorophenyl)-7-hydroxy-2-methyl-8-(quinoxaline-2-carbonylamino)nonan-2-yl]oxymethoxy]-4-oxobutanoic acid Traditional Name: 4-[[4-carbamoyl-8-(3-fluorophenyl)-6-hydroxy-1,1-dimethyl-7-(quinoxaline-2-carbonylamino)octoxy]methoxy]-4-keto-butyric acid Formula: C31H37FN4O8 MolecularWeight: 612.645883

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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)OCOC(=O)CCC(=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)OCOC(=O)CCC(=O)O

InChI

InChI=1S/C31H37FN4O8/c1-31(2,44-18-43-28(40)11-10-27(38)39)13-12-20(29(33)41)16-26(37)24(15-19-6-5-7-21(32)14-19)36-30(42)25-17-34-22-8-3-4-9-23(22)35-25/h3-9,14,17,20,24,26,37H,10-13,15-16,18H2,1-2H3,(H2,33,41)(H,36,42)(H,38,39)