CID 506747

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

Structural Information

Molecular Formula
C30H49N7O6
SMILES
CC[C@@H](C(=O)C(=O)N(CC)CC)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/C30H49N7O6/c1-10-20(25(38)30(43)37(11-2)12-3)33-26(39)21(15-17(4)5)34-28(41)23(18(6)7)36-29(42)24(19(8)9)35-27(40)22-16-31-13-14-32-22/h13-14,16-21,23-24H,10-12,15H2,1-9H3,(H,33,39)(H,34,41)(H,35,40)(H,36,42)/t20-,21-,23-,24-/m0/s1
InChIKey
RNWNTZCMUONWCS-WMIMKTLMSA-N
Compound name
N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(3S)-1-(diethylamino)-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

603.37445 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.38173 231.4
[M+Na]+ 626.36367 254.7
[M-H]- 602.36717 251.3
[M+NH4]+ 621.40827 253.3
[M+K]+ 642.33761 248.2
[M+H-H2O]+ 586.37171 238.6
[M+HCOO]- 648.37265 213.3
[M+CH3COO]- 662.38830 281.9
[M+Na-2H]- 624.34912 229.2
[M]+ 603.37390 224.7
[M]- 603.37500 224.7
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.