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

Systemtic Name: 4-[5-aminocarbonyl-1-(3-fluorophenyl)-8-methyl-8-oxidanyl-2-(quinoxalin-2-ylcarbonylamino)nonan-3-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-carbamoyl-1-[2-(3-fluorophenyl)-1-(quinoxaline-2-carbonylamino)ethyl]-6-hydroxy-6-methyl-heptoxy]-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]oxy-4-oxobutanoic acid IUPAC Name: 4-[5-carbamoyl-1-(3-fluorophenyl)-8-hydroxy-8-methyl-2-(quinoxaline-2-carbonylamino)nonan-3-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[3-carbamoyl-1-[2-(3-fluorophenyl)-1-(quinoxaline-2-carbonylamino)ethyl]-6-hydroxy-6-methyl-heptoxy]-4-keto-butyric acid Formula: C30H35FN4O7 MolecularWeight: 582.619903

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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)OC(=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)OC(=O)CCC(=O)O)C(=O)N)O

InChI

InChI=1S/C30H35FN4O7/c1-30(2,41)13-12-19(28(32)39)16-25(42-27(38)11-10-26(36)37)23(15-18-6-5-7-20(31)14-18)35-29(40)24-17-33-21-8-3-4-9-22(21)34-24/h3-9,14,17,19,23,25,41H,10-13,15-16H2,1-2H3,(H2,32,39)(H,35,40)(H,36,37)