[5-aminocarbonyl-9-(3-fluorophenyl)-2-methyl-7-oxidanyl-8-(quinoxalin-2-ylcarbonylamino)nonan-2-yl] hydrogen sulfate

Systemtic Name: [5-aminocarbonyl-9-(3-fluorophenyl)-2-methyl-7-oxidanyl-8-(quinoxalin-2-ylcarbonylamino)nonan-2-yl] hydrogen sulfate Openeye Name: [4-carbamoyl-8-(3-fluorophenyl)-6-hydroxy-1,1-dimethyl-7-(quinoxaline-2-carbonylamino)octyl] hydrogen sulfate CAS Name: sulfuric acid [5-carbamoyl-9-(3-fluorophenyl)-7-hydroxy-2-methyl-8-[[oxo(2-quinoxalinyl)methyl]amino]nonan-2-yl] ester IUPAC Name: [5-carbamoyl-9-(3-fluorophenyl)-7-hydroxy-2-methyl-8-(quinoxaline-2-carbonylamino)nonan-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [4-carbamoyl-8-(3-fluorophenyl)-6-hydroxy-1,1-dimethyl-7-(quinoxaline-2-carbonylamino)octyl] ester Formula: C26H31FN4O7S MolecularWeight: 562.610343

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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)OS(=O)(=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)OS(=O)(=O)O

InChI

InChI=1S/C26H31FN4O7S/c1-26(2,38-39(35,36)37)11-10-17(24(28)33)14-23(32)21(13-16-6-5-7-18(27)12-16)31-25(34)22-15-29-19-8-3-4-9-20(19)30-22/h3-9,12,15,17,21,23,32H,10-11,13-14H2,1-2H3,(H2,28,33)(H,31,34)(H,35,36,37)