4-[[5-aminocarbonyl-1-(3-fluorophenyl)-8-methyl-8-oxidanyl-2-(quinoxalin-2-ylcarbonylamino)nonan-3-yl]oxymethoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-aminocarbonyl-1-(3-fluorophenyl)-8-methyl-8-oxidanyl-2-(quinoxalin-2-ylcarbonylamino)nonan-3-yl]oxymethoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-carbamoyl-1-[2-(3-fluorophenyl)-1-(quinoxaline-2-carbonylamino)ethyl]-6-hydroxy-6-methyl-heptoxy]methoxy]-4-oxo-butanoic acid CAS Name: 4-[[5-carbamoyl-1-(3-fluorophenyl)-8-hydroxy-8-methyl-2-[[oxo(2-quinoxalinyl)methyl]amino]nonan-3-yl]oxymethoxy]-4-oxobutanoic acid IUPAC Name: 4-[[5-carbamoyl-1-(3-fluorophenyl)-8-hydroxy-8-methyl-2-(quinoxaline-2-carbonylamino)nonan-3-yl]oxymethoxy]-4-oxobutanoic acid Traditional Name: 4-[[3-carbamoyl-1-[2-(3-fluorophenyl)-1-(quinoxaline-2-carbonylamino)ethyl]-6-hydroxy-6-methyl-heptoxy]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)OCOC(=O)CCC(=O)O)C(=O)N)O

Isomeric SMILES

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

InChI

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