CID 464748
144162-29-8
Structural Information
- Molecular Formula
- C44H54F2N8O5
- SMILES
- CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)N(C)CC3=CC=CC=N3)(F)F)NC(=O)N(C)CC4=CC=CC=N4
- InChI
- InChI=1S/C44H54F2N8O5/c1-29(2)37(51-42(58)53(5)27-33-21-13-15-23-47-33)40(56)49-35(25-31-17-9-7-10-18-31)39(55)44(45,46)36(26-32-19-11-8-12-20-32)50-41(57)38(30(3)4)52-43(59)54(6)28-34-22-14-16-24-48-34/h7-24,29-30,35-38H,25-28H2,1-6H3,(H,49,56)(H,50,57)(H,51,58)(H,52,59)/t35-,36-,37-,38-/m0/s1
- InChIKey
- JTDUYNAHHZIVPJ-ZQWQDMLBSA-N
- Compound name
- (2S)-N-[(2S,5S)-4,4-difluoro-5-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-3-oxo-1,6-diphenylhexan-2-yl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 813.42578 | 278.7 |
[M+Na]+ | 835.40772 | 283.8 |
[M-H]- | 811.41122 | 283.6 |
[M+NH4]+ | 830.45232 | 283.4 |
[M+K]+ | 851.38166 | 270.4 |
[M+H-H2O]+ | 795.41576 | 261.2 |
[M+HCOO]- | 857.41670 | 283.8 |
[M+CH3COO]- | 871.43235 | 315.4 |
[M+Na-2H]- | 833.39317 | 310.7 |
[M]+ | 812.41795 | 331.7 |
[M]- | 812.41905 | 331.7 |
Literature stripe
Patent stripe
No patent data available for this compound.