[5-aminocarbonyl-9-(3-fluorophenyl)-2-methyl-7-oxidanyl-8-(quinoxalin-2-ylcarbonylamino)nonan-2-yl] 2-azanyl-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: [5-aminocarbonyl-9-(3-fluorophenyl)-2-methyl-7-oxidanyl-8-(quinoxalin-2-ylcarbonylamino)nonan-2-yl] 2-azanyl-3-(1H-imidazol-5-yl)propanoate Openeye Name: [4-carbamoyl-8-(3-fluorophenyl)-6-hydroxy-1,1-dimethyl-7-(quinoxaline-2-carbonylamino)octyl] 2-amino-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-amino-3-(1H-imidazol-5-yl)propanoic 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] 2-amino-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-amino-3-(1H-imidazol-5-yl)propionic acid [4-carbamoyl-8-(3-fluorophenyl)-6-hydroxy-1,1-dimethyl-7-(quinoxaline-2-carbonylamino)octyl] ester Formula: C32H38FN7O5 MolecularWeight: 619.686423

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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(CC4=CN=CN4)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(CC4=CN=CN4)N

InChI

InChI=1S/C32H38FN7O5/c1-32(2,45-31(44)23(34)15-22-16-36-18-38-22)11-10-20(29(35)42)14-28(41)26(13-19-6-5-7-21(33)12-19)40-30(43)27-17-37-24-8-3-4-9-25(24)39-27/h3-9,12,16-18,20,23,26,28,41H,10-11,13-15,34H2,1-2H3,(H2,35,42)(H,36,38)(H,40,43)