CID 3612797

Valyl-leucyl-lysine 4-nitroanilide

Structural Information

Molecular Formula
C23H38N6O5
SMILES
CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(C(C)C)N
InChI
InChI=1S/C23H38N6O5/c1-14(2)13-19(28-23(32)20(25)15(3)4)22(31)27-18(7-5-6-12-24)21(30)26-16-8-10-17(11-9-16)29(33)34/h8-11,14-15,18-20H,5-7,12-13,24-25H2,1-4H3,(H,26,30)(H,27,31)(H,28,32)
InChIKey
CAJXYXPLLJDEOB-UHFFFAOYSA-N
Compound name
6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]-N-(4-nitrophenyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

100
References

613
Patents

478.29037 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.29765 227.2
[M+Na]+ 501.27959 230.7
[M+NH4]+ 496.32419 214.3
[M+K]+ 517.25353 236.5
[M-H]- 477.28309 221.3
[M+Na-2H]- 499.26504 210.6
[M]+ 478.28982 227.4
[M]- 478.29092 227.4
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.