4-[5-aminocarbonyl-9-(3-fluorophenyl)-2-methyl-7-oxidanyl-8-(quinoxalin-2-ylcarbonylamino)nonan-2-yl]oxy-3-azanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-aminocarbonyl-9-(3-fluorophenyl)-2-methyl-7-oxidanyl-8-(quinoxalin-2-ylcarbonylamino)nonan-2-yl]oxy-3-azanyl-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[4-carbamoyl-8-(3-fluorophenyl)-6-hydroxy-1,1-dimethyl-7-(quinoxaline-2-carbonylamino)octoxy]-4-oxo-butanoic acid CAS Name: 3-amino-4-[5-carbamoyl-9-(3-fluorophenyl)-7-hydroxy-2-methyl-8-[[oxo(2-quinoxalinyl)methyl]amino]nonan-2-yl]oxy-4-oxobutanoic acid IUPAC Name: 3-amino-4-[5-carbamoyl-9-(3-fluorophenyl)-7-hydroxy-2-methyl-8-(quinoxaline-2-carbonylamino)nonan-2-yl]oxy-4-oxobutanoic acid Traditional Name: 3-amino-4-[4-carbamoyl-8-(3-fluorophenyl)-6-hydroxy-1,1-dimethyl-7-(quinoxaline-2-carbonylamino)octoxy]-4-keto-butyric acid Formula: C30H36FN5O7 MolecularWeight: 597.634543

Click to see the large picture

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

Isomeric SMILES

CC(C)(CCC(CC(C(CC1=CC(=CC=C1)F)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)N)OC(=O)C(CC(=O)O)N

InChI

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