dimethyl (2S)-2-[[7-acetamido-1-ethyl-2-(2-fluorophenyl)benzimidazol-5-yl]carbonylamino]pentanedioate

Systemtic Name: dimethyl (2S)-2-[[7-acetamido-1-ethyl-2-(2-fluorophenyl)benzimidazol-5-yl]carbonylamino]pentanedioate Openeye Name: dimethyl (2S)-2-[[7-acetamido-1-ethyl-2-(2-fluorophenyl)benzimidazole-5-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[[7-acetamido-1-ethyl-2-(2-fluorophenyl)-5-benzimidazolyl]-oxomethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[7-acetamido-1-ethyl-2-(2-fluorophenyl)benzimidazole-5-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[[7-acetamido-1-ethyl-2-(2-fluorophenyl)benzimidazole-5-carbonyl]amino]glutaric acid dimethyl ester Formula: C25H27FN4O6 MolecularWeight: 498.503483

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2NC(=O)C)C(=O)NC(CCC(=O)OC)C(=O)OC)N=C1C3=CC=CC=C3F

Isomeric SMILES

CCN1C2=C(C=C(C=C2NC(=O)C)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC)N=C1C3=CC=CC=C3F

InChI

InChI=1S/C25H27FN4O6/c1-5-30-22-19(27-14(2)31)12-15(13-20(22)28-23(30)16-8-6-7-9-17(16)26)24(33)29-18(25(34)36-4)10-11-21(32)35-3/h6-9,12-13,18H,5,10-11H2,1-4H3,(H,27,31)(H,29,33)/t18-/m0/s1