Carbamic acid, N-[(1S)-1-[[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-azabicyclo[2.2.1]hept-3-yl]-1H-benzimidazol-6-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl]carbonyl]-2-methylpropyl]-, methyl ester, (2S,3S)-2,3-dihydroxybutanedioate (1:1)
CAS Registry Number®
CAS Name
Carbamic acid, N-[(1S)-1-[[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-azabicyclo[2.2.1]hept-3-yl]-1H-benzimidazol-6-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl]carbonyl]-2-methylpropyl]-, methyl ester, (2S,3S)-2,3-dihydroxybutanedioate (1:1)Molecular Formula
C49H54F2N8O6.C4H6O6Cite this Page
Carbamic acid, N-[(1S)-1-[[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-azabicyclo[2.2.1]hept-3-yl]-1H-benzimidazol-6-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl]carbonyl]-2-methylpropyl]-, methyl ester, (2S,3S)-2,3-dihydroxybutanedioate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1499193-68-8 (retrieved ) (CAS RN: 1499193-68-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C49H54F2N8O6.C4H6O6/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6;5-1(3(7)8)2(6)4(9)10/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63);1-2,5-6H,(H,7,8)(H,9,10)/t29-,30+,38-,39-,40-,41-;1-,2-/m00/s1
InChIKey
InChIKey=ZQVLPYMRXLPMDX-KEAIDYLOSA-N
SMILES
C([C@@H](NC(OC)=O)[C@H](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([C@@H](NC(OC)=O)C(C)C)=O)[C@]%10(C[C@@]9(CC%10)[H])[H])CC2.[C@H]([C@@H](C(O)=O)O)(C(O)=O)O
Canonical SMILES
O=C(OC)NC(C(=O)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)C(NC(=O)OC)C(C)C)C%10CCC9C%10)C(C)C.O=C(O)C(O)C(O)C(=O)O
Other Names for this Substance
- Carbamic acid, N-[(1S)-1-[[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-azabicyclo[2.2.1]hept-3-yl]-1H-benzimidazol-6-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl]carbonyl]-2-methylpropyl]-, methyl ester, (2S,3S)-2,3-dihydroxybutanedioate (1:1)
