CID 504181

Chembl265345

Structural Information

Molecular Formula
C34H53N7O6
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/C34H53N7O6/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/h7,16-17,20-26,28H,1,8-15,18-19H2,2-6H3,(H,37,47)(H,38,43)(H,39,45)(H,40,46)(H,41,44)/t22-,24-,25-,26-,28-/m0/s1
InChIKey
MYGYXOBHSCJJEK-FVCDFAAQSA-N
Compound name
N-[(2S)-1-[[(2S,3S)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-1,2-dioxo-1-(prop-2-enylamino)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

655.40576 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 656.41304 254.8
[M+Na]+ 678.39498 262.6
[M-H]- 654.39848 256.8
[M+NH4]+ 673.43958 256.5
[M+K]+ 694.36892 246.3
[M+H-H2O]+ 638.40302 243.9
[M+HCOO]- 700.40396 229.3
[M+CH3COO]- 714.41961 286.8
[M+Na-2H]- 676.38043 243.1
[M]+ 655.40521 230.5
[M]- 655.40631 230.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.