1,1′-Bis(1,1-dimethylethyl) (2S,2′S)-2,2′-[[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl]-2,5-pyrrolidinediyl]bis(6-fluoro-1H-benzimidazole-5,2-diyl)]bis[1-pyrrolidinecarboxylate]

CAS Registry Number®

1890114-11-0

CAS Name

1,1′-Bis(1,1-dimethylethyl) (2S,2′S)-2,2′-[[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl]-2,5-pyrrolidinediyl]bis(6-fluoro-1H-benzimidazole-5,2-diyl)]bis[1-pyrrolidinecarboxylate]

Molecular Formula

C53H59F5N8O4

Molecular Mass

967.08

Cite this Page

1,1′-Bis(1,1-dimethylethyl) (2S,2′S)-2,2′-[[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl]-2,5-pyrrolidinediyl]bis(6-fluoro-1H-benzimidazole-5,2-diyl)]bis[1-pyrrolidinecarboxylate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1890114-11-0 (retrieved 2024-12-28) (CAS RN: 1890114-11-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C53H59F5N8O4/c1-52(2,3)69-50(67)64-19-7-9-45(64)48-59-39-25-33(35(55)27-41(39)61-48)43-15-16-44(34-26-40-42(28-36(34)56)62-49(60-40)46-10-8-20-65(46)51(68)70-53(4,5)6)66(43)32-23-37(57)47(38(58)24-32)63-21-17-30(18-22-63)29-11-13-31(54)14-12-29/h11-14,23-28,30,43-46H,7-10,15-22H2,1-6H3,(H,59,61)(H,60,62)/t43-,44-,45+,46+/m1/s1

InChIKey

InChIKey=XPFFHMRTDUQKDT-NLBJKKAISA-N

SMILES

FC1=C([C@@H]2N([C@H](CC2)C=3C=C4C(=CC3F)N=C(N4)[C@H]5N(C(OC(C)(C)C)=O)CCC5)C6=CC(F)=C(C(F)=C6)N7CCC(CC7)C8=CC=C(F)C=C8)C=C9C(=C1)N=C(N9)[C@H]%10N(C(OC(C)(C)C)=O)CCC%10

Canonical SMILES

O=C(OC(C)(C)C)N1CCCC1C2=NC=3C=C(F)C(=CC3N2)C4N(C5=CC(F)=C(C(F)=C5)N6CCC(C7=CC=C(F)C=C7)CC6)C(C8=CC=9NC(=NC9C=C8F)C%10N(C(=O)OC(C)(C)C)CCC%10)CC4

Other Names for this Substance

  • 1-Pyrrolidinecarboxylic acid, 2,2′-[[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl]-2,5-pyrrolidinediyl]bis(6-fluoro-1H-benzimidazole-5,2-diyl)]bis-, 1,1′-bis(1,1-dimethylethyl) ester, (2S,2′S)-
  • 1,1′-Bis(1,1-dimethylethyl) (2S,2′S)-2,2′-[[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl]-2,5-pyrrolidinediyl]bis(6-fluoro-1H-benzimidazole-5,2-diyl)]bis[1-pyrrolidinecarboxylate]

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