CID 506644

L-prolinamide, n-(pyrazinylcarbonyl)-l-valyl-l-valyl-n-[(1s)-1-formylpropyl]-4-[[4-(trifluoromethoxy)phenyl]methoxy]-, (4r)-

Structural Information

Molecular Formula
C32H41F3N6O7
SMILES
CC[C@@H](C=O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C2=NC=CN=C2)OCC3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C32H41F3N6O7/c1-6-21(16-42)38-29(44)25-13-23(47-17-20-7-9-22(10-8-20)48-32(33,34)35)15-41(25)31(46)27(19(4)5)40-30(45)26(18(2)3)39-28(43)24-14-36-11-12-37-24/h7-12,14,16,18-19,21,23,25-27H,6,13,15,17H2,1-5H3,(H,38,44)(H,39,43)(H,40,45)/t21-,23+,25-,26-,27-/m0/s1
InChIKey
CJBCADVECFOCTG-ZOWQFLOBSA-N
Compound name
N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S,4R)-2-[[(2S)-1-oxobutan-2-yl]carbamoyl]-4-[[4-(trifluoromethoxy)phenyl]methoxy]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

678.2989 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 679.30618 249.2
[M+Na]+ 701.28812 244.9
[M-H]- 677.29162 250.1
[M+NH4]+ 696.33272 244.0
[M+K]+ 717.26206 245.5
[M+H-H2O]+ 661.29616 236.4
[M+HCOO]- 723.29710 255.2
[M+CH3COO]- 737.31275 281.1
[M+Na-2H]- 699.27357 240.1
[M]+ 678.29835 247.9
[M]- 678.29945 247.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.