CID 506640

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

Structural Information

Molecular Formula
C34H44N8O8
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=C4OC
InChI
InChI=1S/C34H44N8O8/c1-7-21(17-43)37-31(45)25-14-22(49-18-27-38-33(50-41-27)23-10-8-9-11-26(23)48-6)16-42(25)34(47)29(20(4)5)40-32(46)28(19(2)3)39-30(44)24-15-35-12-13-36-24/h8-13,15,17,19-22,25,28-29H,7,14,16,18H2,1-6H3,(H,37,45)(H,39,44)(H,40,46)/t21-,22+,25-,28-,29-/m0/s1
InChIKey
DBLLYQPLVIZPIU-NAMBECQXSA-N
Compound name
N-[(2S)-1-[[(2S)-1-[(2S,4R)-4-[[5-(2-methoxyphenyl)-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

692.3282 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 693.33548 248.8
[M+Na]+ 715.31742 251.5
[M-H]- 691.32092 246.4
[M+NH4]+ 710.36202 250.2
[M+K]+ 731.29136 244.1
[M+H-H2O]+ 675.32546 227.6
[M+HCOO]- 737.32640 251.3
[M+CH3COO]- 751.34205 284.3
[M+Na-2H]- 713.30287 259.6
[M]+ 692.32765 278.8
[M]- 692.32875 278.8
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.