CID 506632

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

Structural Information

Molecular Formula
C31H46N8O7
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)C(C)(C)C
InChI
InChI=1S/C31H46N8O7/c1-9-19(15-40)34-27(42)22-12-20(45-16-23-35-30(46-38-23)31(6,7)8)14-39(22)29(44)25(18(4)5)37-28(43)24(17(2)3)36-26(41)21-13-32-10-11-33-21/h10-11,13,15,17-20,22,24-25H,9,12,14,16H2,1-8H3,(H,34,42)(H,36,41)(H,37,43)/t19-,20+,22-,24-,25-/m0/s1
InChIKey
SRKAFNZMDKGMRA-XEOMNBDGSA-N
Compound name
N-[(2S)-1-[[(2S)-1-[(2S,4R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)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

642.34894 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 643.35622 246.0
[M+Na]+ 665.33816 241.7
[M-H]- 641.34166 250.8
[M+NH4]+ 660.38276 240.8
[M+K]+ 681.31210 244.5
[M+H-H2O]+ 625.34620 236.5
[M+HCOO]- 687.34714 253.1
[M+CH3COO]- 701.36279 276.1
[M+Na-2H]- 663.32361 251.5
[M]+ 642.34839 249.8
[M]- 642.34949 249.8
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.