CID 122542131

Schembl18078725

Structural Information

Molecular Formula
C14H17N7O6
SMILES
CC([C@@H](C(=O)O)NC(=O)N[C@@H](CC(=O)N)C1=NN=C(O1)C2=NC=CN=C2)O
InChI
InChI=1S/C14H17N7O6/c1-6(22)10(13(24)25)19-14(26)18-7(4-9(15)23)11-20-21-12(27-11)8-5-16-2-3-17-8/h2-3,5-7,10,22H,4H2,1H3,(H2,15,23)(H,24,25)(H2,18,19,26)/t6?,7-,10-/m0/s1
InChIKey
FQAXMNWDINGSGZ-MXMVMAASSA-N
Compound name
(2S)-2-[[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]carbamoylamino]-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

379.12402 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.13130 180.6
[M+Na]+ 402.11324 184.1
[M+NH4]+ 397.15784 179.9
[M+K]+ 418.08718 189.1
[M-H]- 378.11674 178.5
[M+Na-2H]- 400.09869 180.8
[M]+ 379.12347 179.3
[M]- 379.12457 179.3
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

patents stripe