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

Systemtic Name: 5-[5-aminocarbonyl-1-(3-fluorophenyl)-8-methyl-8-oxidanyl-2-(quinoxalin-2-ylcarbonylamino)nonan-3-yl]oxy-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-carbamoyl-1-[2-(3-fluorophenyl)-1-(quinoxaline-2-carbonylamino)ethyl]-6-hydroxy-6-methyl-heptoxy]-5-oxo-pentanoic acid CAS Name: 5-[5-carbamoyl-1-(3-fluorophenyl)-8-hydroxy-8-methyl-2-[[oxo(2-quinoxalinyl)methyl]amino]nonan-3-yl]oxy-5-oxopentanoic acid IUPAC Name: 5-[5-carbamoyl-1-(3-fluorophenyl)-8-hydroxy-8-methyl-2-(quinoxaline-2-carbonylamino)nonan-3-yl]oxy-5-oxopentanoic acid Traditional Name: 5-[3-carbamoyl-1-[2-(3-fluorophenyl)-1-(quinoxaline-2-carbonylamino)ethyl]-6-hydroxy-6-methyl-heptoxy]-5-keto-valeric acid Formula: C31H37FN4O7 MolecularWeight: 596.646483

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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)CCCC(=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)CCCC(=O)O)C(=O)N)O

InChI

InChI=1S/C31H37FN4O7/c1-31(2,42)14-13-20(29(33)40)17-26(43-28(39)12-6-11-27(37)38)24(16-19-7-5-8-21(32)15-19)36-30(41)25-18-34-22-9-3-4-10-23(22)35-25/h3-5,7-10,15,18,20,24,26,42H,6,11-14,16-17H2,1-2H3,(H2,33,40)(H,36,41)(H,37,38)