CID 506744

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

Structural Information

Molecular Formula
C32H45N7O6
SMILES
CC[C@@H](C(=O)C(=O)NC1=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/C32H45N7O6/c1-8-22(27(40)32(45)35-21-12-10-9-11-13-21)36-28(41)23(16-18(2)3)37-30(43)25(19(4)5)39-31(44)26(20(6)7)38-29(42)24-17-33-14-15-34-24/h9-15,17-20,22-23,25-26H,8,16H2,1-7H3,(H,35,45)(H,36,41)(H,37,43)(H,38,42)(H,39,44)/t22-,23-,25-,26-/m0/s1
InChIKey
XCNOHEOJZQFTJC-LCGRTSHQSA-N
Compound name
N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(3S)-1-anilino-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

623.34314 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.35042 248.1
[M+Na]+ 646.33236 240.3
[M-H]- 622.33586 249.9
[M+NH4]+ 641.37696 245.1
[M+K]+ 662.30630 243.7
[M+H-H2O]+ 606.34040 237.1
[M+HCOO]- 668.34134 214.1
[M+CH3COO]- 682.35699 281.4
[M+Na-2H]- 644.31781 238.5
[M]+ 623.34259 247.4
[M]- 623.34369 247.4
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.