CID 504186

Chembl273701

Structural Information

Molecular Formula
C35H55N7O6
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)N2CCCC2)NC(=O)[C@H](CC(C)C)NC(=O)C3=NC=CN=C3
InChI
InChI=1S/C35H55N7O6/c1-6-23(5)29(41-32(45)26(19-22(3)4)39-33(46)28-21-36-15-16-37-28)34(47)40-27(20-24-13-9-8-10-14-24)31(44)38-25(7-2)30(43)35(48)42-17-11-12-18-42/h15-16,21-27,29H,6-14,17-20H2,1-5H3,(H,38,44)(H,39,46)(H,40,47)(H,41,45)/t23-,25-,26-,27-,29-/m0/s1
InChIKey
HOLSFSYHRMARDA-YZXAOCOMSA-N
Compound name
N-[(2S)-1-[[(2S,3S)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-1,2-dioxo-1-pyrrolidin-1-ylpentan-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

669.4214 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 670.42868 251.6
[M+Na]+ 692.41062 239.3
[M-H]- 668.41412 253.5
[M+NH4]+ 687.45522 245.4
[M+K]+ 708.38456 241.9
[M+H-H2O]+ 652.41866 240.9
[M+HCOO]- 714.41960 255.5
[M+CH3COO]- 728.43525 284.0
[M+Na-2H]- 690.39607 238.7
[M]+ 669.42085 245.5
[M]- 669.42195 245.5
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.