CID 506647

L-prolinamide, n-(pyrazinylcarbonyl)-l-valyl-l-valyl-4-[(3-cyanophenyl)methoxy]-n-[(1s)-1-formylpropyl]-, (4r)-

Structural Information

Molecular Formula
C32H41N7O6
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(=CC=C3)C#N
InChI
InChI=1S/C32H41N7O6/c1-6-23(17-40)36-30(42)26-13-24(45-18-22-9-7-8-21(12-22)14-33)16-39(26)32(44)28(20(4)5)38-31(43)27(19(2)3)37-29(41)25-15-34-10-11-35-25/h7-12,15,17,19-20,23-24,26-28H,6,13,16,18H2,1-5H3,(H,36,42)(H,37,41)(H,38,43)/t23-,24+,26-,27-,28-/m0/s1
InChIKey
QUFLPXANMAGDHR-JOMDOPAKSA-N
Compound name
N-[(2S)-1-[[(2S)-1-[(2S,4R)-4-[(3-cyanophenyl)methoxy]-2-[[(2S)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

619.3118 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 620.31908 246.3
[M+Na]+ 642.30102 243.4
[M-H]- 618.30452 247.7
[M+NH4]+ 637.34562 242.5
[M+K]+ 658.27496 242.3
[M+H-H2O]+ 602.30906 227.9
[M+HCOO]- 664.31000 253.0
[M+CH3COO]- 678.32565 275.7
[M+Na-2H]- 640.28647 235.7
[M]+ 619.31125 240.6
[M]- 619.31235 240.6
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.