CID 506740

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

Structural Information

Molecular Formula
C34H49N7O6
SMILES
CC[C@@H](C(=O)C(=O)NCCC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C2=NC=CN=C2
InChI
InChI=1S/C34H49N7O6/c1-8-24(29(42)34(47)37-15-14-23-12-10-9-11-13-23)38-30(43)25(18-20(2)3)39-32(45)27(21(4)5)41-33(46)28(22(6)7)40-31(44)26-19-35-16-17-36-26/h9-13,16-17,19-22,24-25,27-28H,8,14-15,18H2,1-7H3,(H,37,47)(H,38,43)(H,39,45)(H,40,44)(H,41,46)/t24-,25-,27-,28-/m0/s1
InChIKey
KWMMXOGFIWPAHK-XEZODYMFSA-N
Compound name
N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(3S)-1,2-dioxo-1-(2-phenylethylamino)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

651.37445 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 652.38173 256.1
[M+Na]+ 674.36367 247.4
[M-H]- 650.36717 250.6
[M+NH4]+ 669.40827 251.1
[M+K]+ 690.33761 250.5
[M+H-H2O]+ 634.37171 244.8
[M+HCOO]- 696.37265 219.3
[M+CH3COO]- 710.38830 286.6
[M+Na-2H]- 672.34912 245.7
[M]+ 651.37390 224.6
[M]- 651.37500 224.6
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.