CID 323786

Tryptophylleucine

Structural Information

Molecular Formula
C17H23N3O3
SMILES
CC(C)CC(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N
InChI
InChI=1S/C17H23N3O3/c1-10(2)7-15(17(22)23)20-16(21)13(18)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19H,7-8,18H2,1-2H3,(H,20,21)(H,22,23)
InChIKey
LYMVXFSTACVOLP-UHFFFAOYSA-N
Compound name
2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

132
Patents

317.17395 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.18123 177.0
[M+Na]+ 340.16317 180.3
[M-H]- 316.16667 176.8
[M+NH4]+ 335.20777 190.1
[M+K]+ 356.13711 177.2
[M+H-H2O]+ 300.17121 169.6
[M+HCOO]- 362.17215 194.1
[M+CH3COO]- 376.18780 209.5
[M+Na-2H]- 338.14862 175.2
[M]+ 317.17340 175.1
[M]- 317.17450 175.1
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

patents stripe