CID 506737

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

Structural Information

Molecular Formula
C33H47N7O6
SMILES
CC[C@@H](C(=O)C(=O)NCC1=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/C33H47N7O6/c1-8-23(28(41)33(46)36-17-22-12-10-9-11-13-22)37-29(42)24(16-19(2)3)38-31(44)26(20(4)5)40-32(45)27(21(6)7)39-30(43)25-18-34-14-15-35-25/h9-15,18-21,23-24,26-27H,8,16-17H2,1-7H3,(H,36,46)(H,37,42)(H,38,44)(H,39,43)(H,40,45)/t23-,24-,26-,27-/m0/s1
InChIKey
JQMQQLWYJWUQDW-DROSFRCNSA-N
Compound name
N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(3S)-1-(benzylamino)-1,2-dioxopentan-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

637.35876 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.36604 252.1
[M+Na]+ 660.34798 243.9
[M-H]- 636.35148 253.7
[M+NH4]+ 655.39258 248.1
[M+K]+ 676.32192 247.1
[M+H-H2O]+ 620.35602 241.0
[M+HCOO]- 682.35696 216.7
[M+CH3COO]- 696.37261 284.0
[M+Na-2H]- 658.33343 242.1
[M]+ 637.35821 251.7
[M]- 637.35931 251.7
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.