5-Azaspiro[2.4]heptane-5-carboxylic acid, 6-[5-[7-[2-[(1R,3S,4S)-2-[(1,1-dimethylethoxy)carbonyl]-2-azabicyclo[2.2.1]hept-3-yl]-1H-benzimidazol-6-yl]-9,9-difluoro-9H-fluoren-2-yl]-1H-imidazol-2-yl]-, 1,1-dimethylethyl ester, (6S)-, ethanedioate (1:1)
CAS Registry Number®
1499193-66-6
CAS Name
5-Azaspiro[2.4]heptane-5-carboxylic acid, 6-[5-[7-[2-[(1R,3S,4S)-2-[(1,1-dimethylethoxy)carbonyl]-2-azabicyclo[2.2.1]hept-3-yl]-1H-benzimidazol-6-yl]-9,9-difluoro-9H-fluoren-2-yl]-1H-imidazol-2-yl]-, 1,1-dimethylethyl ester, (6S)-, ethanedioate (1:1)Molecular Formula
C45H48F2N6O4.C2H2O4Cite this Page
5-Azaspiro[2.4]heptane-5-carboxylic acid, 6-[5-[7-[2-[(1R,3S,4S)-2-[(1,1-dimethylethoxy)carbonyl]-2-azabicyclo[2.2.1]hept-3-yl]-1H-benzimidazol-6-yl]-9,9-difluoro-9H-fluoren-2-yl]-1H-imidazol-2-yl]-, 1,1-dimethylethyl ester, (6S)-, ethanedioate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1499193-66-6 (retrieved ) (CAS RN: 1499193-66-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C45H48F2N6O4.C2H2O4/c1-42(2,3)56-40(54)52-23-44(15-16-44)21-36(52)38-48-22-35(51-38)26-9-13-30-29-12-8-24(18-31(29)45(46,47)32(30)19-26)25-10-14-33-34(20-25)50-39(49-33)37-27-7-11-28(17-27)53(37)41(55)57-43(4,5)6;3-1(4)2(5)6/h8-10,12-14,18-20,22,27-28,36-37H,7,11,15-17,21,23H2,1-6H3,(H,48,51)(H,49,50);(H,3,4)(H,5,6)/t27-,28+,36-,37-;/m0./s1
InChIKey
InChIKey=PFLRLGPEWNZZAJ-FJDJEQANSA-N
SMILES
C(OC(C)(C)C)(=O)N1CC2(C[C@H]1C=3NC(=CN3)C=4C=C5C(=CC4)C=6C(C5(F)F)=CC(=CC6)C=7C=C8C(=CC7)N=C(N8)[C@H]9N(C(OC(C)(C)C)=O)[C@]%10(C[C@@]9(CC%10)[H])[H])CC2.C(C(O)=O)(O)=O
Canonical SMILES
O=C(O)C(=O)O.O=C(OC(C)(C)C)N1CC2(CC2)CC1C3=NC=C(N3)C=4C=CC=5C=6C=CC(=CC6C(F)(F)C5C4)C=7C=CC=8N=C(NC8C7)C9N(C(=O)OC(C)(C)C)C%10CCC9C%10
Other Names for this Substance
- 5-Azaspiro[2.4]heptane-5-carboxylic acid, 6-[5-[7-[2-[(1R,3S,4S)-2-[(1,1-dimethylethoxy)carbonyl]-2-azabicyclo[2.2.1]hept-3-yl]-1H-benzimidazol-6-yl]-9,9-difluoro-9H-fluoren-2-yl]-1H-imidazol-2-yl]-, 1,1-dimethylethyl ester, (6S)-, ethanedioate (1:1)
