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

Systemtic Name: 5-[5-aminocarbonyl-9-(3-fluorophenyl)-2-methyl-7-oxidanyl-8-(quinoxalin-2-ylcarbonylamino)nonan-2-yl]oxy-4-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[4-carbamoyl-8-(3-fluorophenyl)-6-hydroxy-1,1-dimethyl-7-(quinoxaline-2-carbonylamino)octoxy]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[5-carbamoyl-9-(3-fluorophenyl)-7-hydroxy-2-methyl-8-[[oxo(2-quinoxalinyl)methyl]amino]nonan-2-yl]oxy-5-oxopentanoic acid IUPAC Name: 4-amino-5-[5-carbamoyl-9-(3-fluorophenyl)-7-hydroxy-2-methyl-8-(quinoxaline-2-carbonylamino)nonan-2-yl]oxy-5-oxopentanoic acid Traditional Name: 4-amino-5-[4-carbamoyl-8-(3-fluorophenyl)-6-hydroxy-1,1-dimethyl-7-(quinoxaline-2-carbonylamino)octoxy]-5-keto-valeric acid Formula: C31H38FN5O7 MolecularWeight: 611.661123

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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)OC(=O)C(CCC(=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(CCC(=O)O)N

InChI

InChI=1S/C31H38FN5O7/c1-31(2,44-30(43)21(33)10-11-27(39)40)13-12-19(28(34)41)16-26(38)24(15-18-6-5-7-20(32)14-18)37-29(42)25-17-35-22-8-3-4-9-23(22)36-25/h3-9,14,17,19,21,24,26,38H,10-13,15-16,33H2,1-2H3,(H2,34,41)(H,37,42)(H,39,40)