CID 506743

L-leucinamide, n-(pyrazinylcarbonyl)-l-valyl-l-valyl-n1-[(1s)-1-ethyl-2,3-dioxo-3-(propylamino)propyl]-

Structural Information

Molecular Formula
C29H47N7O6
SMILES
CCCNC(=O)C(=O)[C@H](CC)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/C29H47N7O6/c1-9-11-32-29(42)24(37)19(10-2)33-25(38)20(14-16(3)4)34-27(40)22(17(5)6)36-28(41)23(18(7)8)35-26(39)21-15-30-12-13-31-21/h12-13,15-20,22-23H,9-11,14H2,1-8H3,(H,32,42)(H,33,38)(H,34,40)(H,35,39)(H,36,41)/t19-,20-,22-,23-/m0/s1
InChIKey
RVLZVWYXSVOYMU-SQOUVECCSA-N
Compound name
N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(3S)-1,2-dioxo-1-(propylamino)pentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-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

589.35876 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.36604 228.3
[M+Na]+ 612.34798 250.4
[M-H]- 588.35148 246.8
[M+NH4]+ 607.39258 246.5
[M+K]+ 628.32192 242.9
[M+H-H2O]+ 572.35602 233.9
[M+HCOO]- 634.35696 211.1
[M+CH3COO]- 648.37261 276.7
[M+Na-2H]- 610.33343 225.0
[M]+ 589.35821 219.9
[M]- 589.35931 219.9
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.