CID 58426972

Mk-8325

Structural Information

Molecular Formula
C43H52F2N8O6Si
SMILES
CC(C)[C@@H](C(=O)N1CC(C[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC5=C(C=C4)C6=C(C=C5)NC(=N6)[C@@H]7C[Si](CN7C(=O)[C@H](C(C)C)NC(=O)OC)(C)C)(F)F)NC(=O)OC
InChI
InChI=1S/C43H52F2N8O6Si/c1-23(2)34(50-41(56)58-5)39(54)52-21-43(44,45)18-32(52)37-46-19-31(48-37)26-11-9-25(10-12-26)27-13-15-29-28(17-27)14-16-30-36(29)49-38(47-30)33-20-60(7,8)22-53(33)40(55)35(24(3)4)51-42(57)59-6/h9-17,19,23-24,32-35H,18,20-22H2,1-8H3,(H,46,48)(H,47,49)(H,50,56)(H,51,57)/t32-,33-,34-,35-/m0/s1
InChIKey
IHWFCBNZRRITRU-BBACVFHCSA-N
Compound name
methyl N-[(2S)-1-[(2S)-4,4-difluoro-2-[5-[4-[2-[(5R)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

842.3747 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 843.38198 213.3
[M+Na]+ 865.36392 220.7
[M+NH4]+ 860.40852 218.7
[M+K]+ 881.33786 221.4
[M-H]- 841.36742 214.0
[M+Na-2H]- 863.34937 222.2
[M]+ 842.37415 216.7
[M]- 842.37525 216.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe