bis(phenylmethyl) 5-[[(2S)-2-[[6-(cycloheptylmethylcarbamoyl)-1H-benzimidazol-5-yl]carbonylamino]-3-(2-fluorophenyl)propanoyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: bis(phenylmethyl) 5-[[(2S)-2-[[6-(cycloheptylmethylcarbamoyl)-1H-benzimidazol-5-yl]carbonylamino]-3-(2-fluorophenyl)propanoyl]amino]benzene-1,3-dicarboxylate Openeye Name: dibenzyl 5-[[(2S)-2-[[6-(cycloheptylmethylcarbamoyl)-1H-benzimidazole-5-carbonyl]amino]-3-(2-fluorophenyl)propanoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2S)-2-[[[6-[(cycloheptylmethylamino)-oxomethyl]-1H-benzimidazol-5-yl]-oxomethyl]amino]-3-(2-fluorophenyl)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 5-[[(2S)-2-[[6-(cycloheptylmethylcarbamoyl)-1H-benzimidazole-5-carbonyl]amino]-3-(2-fluorophenyl)propanoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(2S)-2-[[6-(cycloheptylmethylcarbamoyl)-1H-benzimidazole-5-carbonyl]amino]-3-(2-fluorophenyl)propanoyl]amino]benzene-1,3-dicarboxylic acid dibenzyl ester Formula: C48H46FN5O7 MolecularWeight: 823.906543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)CNC(=O)C2=CC3=C(C=C2C(=O)NC(CC4=CC=CC=C4F)C(=O)NC5=CC(=CC(=C5)C(=O)OCC6=CC=CC=C6)C(=O)OCC7=CC=CC=C7)N=CN3

Isomeric SMILES

C1CCCC(CC1)CNC(=O)C2=CC3=C(C=C2C(=O)N[C@@H](CC4=CC=CC=C4F)C(=O)NC5=CC(=CC(=C5)C(=O)OCC6=CC=CC=C6)C(=O)OCC7=CC=CC=C7)N=CN3

InChI

InChI=1S/C48H46FN5O7/c49-40-20-12-11-19-34(40)24-43(54-45(56)39-26-42-41(51-30-52-42)25-38(39)44(55)50-27-31-13-5-1-2-6-14-31)46(57)53-37-22-35(47(58)60-28-32-15-7-3-8-16-32)21-36(23-37)48(59)61-29-33-17-9-4-10-18-33/h3-4,7-12,15-23,25-26,30-31,43H,1-2,5-6,13-14,24,27-29H2,(H,50,55)(H,51,52)(H,53,57)(H,54,56)/t43-/m0/s1