CID 506718

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

Structural Information

Molecular Formula
C25H40N6O5
SMILES
CC[C@@H](C=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/C25H40N6O5/c1-8-17(13-32)28-22(33)18(11-14(2)3)29-24(35)20(15(4)5)31-25(36)21(16(6)7)30-23(34)19-12-26-9-10-27-19/h9-10,12-18,20-21H,8,11H2,1-7H3,(H,28,33)(H,29,35)(H,30,34)(H,31,36)/t17-,18-,20-,21-/m0/s1
InChIKey
TUIQERARRZFERS-QIJZPMMNSA-N
Compound name
N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxobutan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.30603 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.31331 225.1
[M+Na]+ 527.29525 220.8
[M-H]- 503.29875 224.3
[M+NH4]+ 522.33985 232.3
[M+K]+ 543.26919 222.8
[M+H-H2O]+ 487.30329 215.1
[M+HCOO]- 549.30423 206.8
[M+CH3COO]- 563.31988 258.0
[M+Na-2H]- 525.28070 215.9
[M]+ 504.30548 225.5
[M]- 504.30658 225.5
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.