2-[5-aminocarbonyl-1-(3-fluorophenyl)-8-methyl-8-oxidanyl-2-(quinoxalin-2-ylcarbonylamino)nonan-3-yl]oxycarbonyloxyethanoic acid

Systemtic Name: 2-[5-aminocarbonyl-1-(3-fluorophenyl)-8-methyl-8-oxidanyl-2-(quinoxalin-2-ylcarbonylamino)nonan-3-yl]oxycarbonyloxyethanoic acid Openeye Name: 2-[3-carbamoyl-1-[2-(3-fluorophenyl)-1-(quinoxaline-2-carbonylamino)ethyl]-6-hydroxy-6-methyl-heptoxy]carbonyloxyacetic acid CAS Name: 2-[[5-carbamoyl-1-(3-fluorophenyl)-8-hydroxy-8-methyl-2-[[oxo(2-quinoxalinyl)methyl]amino]nonan-3-yl]oxy-oxomethoxy]acetic acid IUPAC Name: 2-[5-carbamoyl-1-(3-fluorophenyl)-8-hydroxy-8-methyl-2-(quinoxaline-2-carbonylamino)nonan-3-yl]oxycarbonyloxyacetic acid Traditional Name: 2-[3-carbamoyl-1-[2-(3-fluorophenyl)-1-(quinoxaline-2-carbonylamino)ethyl]-6-hydroxy-6-methyl-heptoxy]carbonyloxyacetic acid Formula: C29H33FN4O8 MolecularWeight: 584.592723

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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)OCC(=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)OCC(=O)O)C(=O)N)O

InChI

InChI=1S/C29H33FN4O8/c1-29(2,40)11-10-18(26(31)37)14-24(42-28(39)41-16-25(35)36)22(13-17-6-5-7-19(30)12-17)34-27(38)23-15-32-20-8-3-4-9-21(20)33-23/h3-9,12,15,18,22,24,40H,10-11,13-14,16H2,1-2H3,(H2,31,37)(H,34,38)(H,35,36)