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

Systemtic Name: 4-[5-aminocarbonyl-1-(3-fluorophenyl)-8-methyl-8-oxidanyl-2-(quinoxalin-2-ylcarbonylamino)nonan-3-yl]oxy-3-azanyl-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[3-carbamoyl-1-[2-(3-fluorophenyl)-1-(quinoxaline-2-carbonylamino)ethyl]-6-hydroxy-6-methyl-heptoxy]-4-oxo-butanoic acid CAS Name: 3-amino-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: 3-amino-4-[5-carbamoyl-1-(3-fluorophenyl)-8-hydroxy-8-methyl-2-(quinoxaline-2-carbonylamino)nonan-3-yl]oxy-4-oxobutanoic acid Traditional Name: 3-amino-4-[3-carbamoyl-1-[2-(3-fluorophenyl)-1-(quinoxaline-2-carbonylamino)ethyl]-6-hydroxy-6-methyl-heptoxy]-4-keto-butyric acid Formula: C30H36FN5O7 MolecularWeight: 597.634543

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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)C(CC(=O)O)N)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)C(CC(=O)O)N)C(=O)N)O

InChI

InChI=1S/C30H36FN5O7/c1-30(2,42)11-10-18(27(33)39)14-25(43-29(41)20(32)15-26(37)38)23(13-17-6-5-7-19(31)12-17)36-28(40)24-16-34-21-8-3-4-9-22(21)35-24/h3-9,12,16,18,20,23,25,42H,10-11,13-15,32H2,1-2H3,(H2,33,39)(H,36,40)(H,37,38)