[5-[3-[[(2S)-2-[[6-(cycloheptylmethylcarbamoyl)-1H-benzimidazol-5-yl]carbonylamino]-3-(2-fluorophenyl)propanoyl]amino]-5-[1-(2,2-dimethylpropanoyloxymethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1,2,3,4-tetrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [5-[3-[[(2S)-2-[[6-(cycloheptylmethylcarbamoyl)-1H-benzimidazol-5-yl]carbonylamino]-3-(2-fluorophenyl)propanoyl]amino]-5-[1-(2,2-dimethylpropanoyloxymethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1,2,3,4-tetrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [5-[3-[[(2S)-2-[[6-(cycloheptylmethylcarbamoyl)-1H-benzimidazole-5-carbonyl]amino]-3-(2-fluorophenyl)propanoyl]amino]-5-[1-(2,2-dimethylpropanoyloxymethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [5-[3-[[(2S)-2-[[[6-[(cycloheptylmethylamino)-oxomethyl]-1H-benzimidazol-5-yl]-oxomethyl]amino]-3-(2-fluorophenyl)-1-oxopropyl]amino]-5-[1-[(2,2-dimethyl-1-oxopropoxy)methyl]-5-tetrazolyl]phenyl]-1-tetrazolyl]methyl ester IUPAC Name: [5-[3-[[(2S)-2-[[6-(cycloheptylmethylcarbamoyl)-1H-benzimidazole-5-carbonyl]amino]-3-(2-fluorophenyl)propanoyl]amino]-5-[1-(2,2-dimethylpropanoyloxymethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [5-[3-[[(2S)-2-[[6-(cycloheptylmethylcarbamoyl)-1H-benzimidazole-5-carbonyl]amino]-3-(2-fluorophenyl)propanoyl]amino]-5-[1-(pivaloyloxymethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]methyl ester Formula: C46H54FN13O7 MolecularWeight: 920.002263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C(=NN=N1)C2=CC(=CC(=C2)NC(=O)C(CC3=CC=CC=C3F)NC(=O)C4=CC5=C(C=C4C(=O)NCC6CCCCCC6)NC=N5)C7=NN=NN7COC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OCN1C(=NN=N1)C2=CC(=CC(=C2)NC(=O)[C@H](CC3=CC=CC=C3F)NC(=O)C4=CC5=C(C=C4C(=O)NCC6CCCCCC6)NC=N5)C7=NN=NN7COC(=O)C(C)(C)C

InChI

InChI=1S/C46H54FN13O7/c1-45(2,3)43(64)66-25-59-38(53-55-57-59)29-17-30(39-54-56-58-60(39)26-67-44(65)46(4,5)6)19-31(18-29)51-42(63)37(20-28-15-11-12-16-34(28)47)52-41(62)33-22-36-35(49-24-50-36)21-32(33)40(61)48-23-27-13-9-7-8-10-14-27/h11-12,15-19,21-22,24,27,37H,7-10,13-14,20,23,25-26H2,1-6H3,(H,48,61)(H,49,50)(H,51,63)(H,52,62)/t37-/m0/s1