CID 506629

L-prolinamide, n-(pyrazinylcarbonyl)-l-valyl-l-valyl-n-[(1s)-1-formylpropyl]-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]-, (4r)-

Structural Information

Molecular Formula
C33H42N8O7
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=NOC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C33H42N8O7/c1-6-22(17-42)36-30(44)25-14-23(47-18-26-37-32(48-40-26)21-10-8-7-9-11-21)16-41(25)33(46)28(20(4)5)39-31(45)27(19(2)3)38-29(43)24-15-34-12-13-35-24/h7-13,15,17,19-20,22-23,25,27-28H,6,14,16,18H2,1-5H3,(H,36,44)(H,38,43)(H,39,45)/t22-,23+,25-,27-,28-/m0/s1
InChIKey
IGVBGOQLMRRSAT-CGACGQNGSA-N
Compound name
N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S,4R)-2-[[(2S)-1-oxobutan-2-yl]carbamoyl]-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)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

662.3176 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.32488 246.0
[M+Na]+ 685.30682 240.9
[M-H]- 661.31032 253.4
[M+NH4]+ 680.35142 238.7
[M+K]+ 701.28076 242.5
[M+H-H2O]+ 645.31486 234.3
[M+HCOO]- 707.31580 254.7
[M+CH3COO]- 721.33145 278.2
[M+Na-2H]- 683.29227 254.0
[M]+ 662.31705 248.4
[M]- 662.31815 248.4
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.