CID 506741

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

Structural Information

Molecular Formula
C34H49N7O6
SMILES
CC[C@@H](C(=O)C(=O)N[C@H](C)C1=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/c1-9-24(29(42)34(47)37-22(8)23-13-11-10-12-14-23)38-30(43)25(17-19(2)3)39-32(45)27(20(4)5)41-33(46)28(21(6)7)40-31(44)26-18-35-15-16-36-26/h10-16,18-22,24-25,27-28H,9,17H2,1-8H3,(H,37,47)(H,38,43)(H,39,45)(H,40,44)(H,41,46)/t22-,24+,25+,27+,28+/m1/s1
InChIKey
UAVZLJQEJPCESJ-SNXTWSMZSA-N
Compound name
N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]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

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 652.38173 255.2
[M+Na]+ 674.36367 246.4
[M-H]- 650.36717 249.8
[M+NH4]+ 669.40827 250.5
[M+K]+ 690.33761 250.4
[M+H-H2O]+ 634.37171 244.4
[M+HCOO]- 696.37265 215.2
[M+CH3COO]- 710.38830 287.4
[M+Na-2H]- 672.34912 284.7
[M]+ 651.37390 222.9
[M]- 651.37500 222.9
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.