CID 506735

L-leucinamide, n-(pyrazinylcarbonyl)-l-valyl-l-valyl-n1-[(1s)-1-(carboxycarbonyl)propyl]-

Structural Information

Molecular Formula
C26H40N6O7
SMILES
CC[C@@H](C(=O)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C1=NC=CN=C1
InChI
InChI=1S/C26H40N6O7/c1-8-16(21(33)26(38)39)29-22(34)17(11-13(2)3)30-24(36)19(14(4)5)32-25(37)20(15(6)7)31-23(35)18-12-27-9-10-28-18/h9-10,12-17,19-20H,8,11H2,1-7H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t16-,17-,19-,20-/m0/s1
InChIKey
OGQXTJMSSLCNJL-ZULIPRJHSA-N
Compound name
(3S)-3-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(pyrazine-2-carbonylamino)butanoyl]amino]butanoyl]amino]pentanoyl]amino]-2-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.29584 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.30312 217.0
[M+Na]+ 571.28506 237.1
[M-H]- 547.28856 234.5
[M+NH4]+ 566.32966 234.7
[M+K]+ 587.25900 229.5
[M+H-H2O]+ 531.29310 222.8
[M+HCOO]- 593.29404 201.1
[M+CH3COO]- 607.30969 264.3
[M+Na-2H]- 569.27051 214.0
[M]+ 548.29529 210.0
[M]- 548.29639 210.0
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.