CID 504183

Chembl274547

Structural Information

Molecular Formula
C34H51N7O6
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NCC#C)NC(=O)[C@H](CC(C)C)NC(=O)C2=NC=CN=C2
InChI
InChI=1S/C34H51N7O6/c1-7-15-37-34(47)29(42)24(9-3)38-30(43)26(19-23-13-11-10-12-14-23)40-33(46)28(22(6)8-2)41-31(44)25(18-21(4)5)39-32(45)27-20-35-16-17-36-27/h1,16-17,20-26,28H,8-15,18-19H2,2-6H3,(H,37,47)(H,38,43)(H,39,45)(H,40,46)(H,41,44)/t22-,24-,25-,26-,28-/m0/s1
InChIKey
LFQIKGPKOCKYBC-FVCDFAAQSA-N
Compound name
N-[(2S)-1-[[(2S,3S)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-1,2-dioxo-1-(prop-2-ynylamino)pentan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

653.3901 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 654.39738 256.8
[M+Na]+ 676.37932 248.5
[M-H]- 652.38282 253.8
[M+NH4]+ 671.42392 272.2
[M+K]+ 692.35326 249.6
[M+H-H2O]+ 636.38736 239.8
[M+HCOO]- 698.38830 247.7
[M+CH3COO]- 712.40395 282.8
[M+Na-2H]- 674.36477 243.5
[M]+ 653.38955 246.5
[M]- 653.39065 246.5
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.