CID 506748

L-leucinamide, n-(pyrazinylcarbonyl)-l-valyl-l-valyl-n1-[(1s)-1-ethyl-3-[(2-methoxypropyl)amino]-2,3-dioxopropyl]-

Structural Information

Molecular Formula
C30H49N7O7
SMILES
CC[C@@H](C(=O)C(=O)NCC(C)OC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C1=NC=CN=C1
InChI
InChI=1S/C30H49N7O7/c1-10-20(25(38)30(43)33-14-19(8)44-9)34-26(39)21(13-16(2)3)35-28(41)23(17(4)5)37-29(42)24(18(6)7)36-27(40)22-15-31-11-12-32-22/h11-12,15-21,23-24H,10,13-14H2,1-9H3,(H,33,43)(H,34,39)(H,35,41)(H,36,40)(H,37,42)/t19?,20-,21-,23-,24-/m0/s1
InChIKey
CTLIWBZWSTURMM-FJJUINNHSA-N
Compound name
N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(3S)-1-(2-methoxypropylamino)-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

619.3693 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 620.37658 231.7
[M+Na]+ 642.35852 253.4
[M-H]- 618.36202 251.4
[M+NH4]+ 637.40312 251.9
[M+K]+ 658.33246 246.9
[M+H-H2O]+ 602.36656 237.8
[M+HCOO]- 664.36750 211.8
[M+CH3COO]- 678.38315 282.1
[M+Na-2H]- 640.34397 228.4
[M]+ 619.36875 224.1
[M]- 619.36985 224.1
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.