CID 73587

Glycyl-l-histidyl-l-lysine

Structural Information

Molecular Formula
C14H24N6O4
SMILES
C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CN
InChI
InChI=1S/C14H24N6O4/c15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9/h7-8,10-11H,1-6,15-16H2,(H,17,18)(H,19,21)(H,20,22)(H,23,24)/t10-,11-/m0/s1
InChIKey
MVORZMQFXBLMHM-QWRGUYRKSA-N
Compound name
(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

117
References

14713
Patents

340.1859 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19318 178.6
[M+Na]+ 363.17512 178.5
[M+NH4]+ 358.21972 178.9
[M+K]+ 379.14906 181.3
[M-H]- 339.17862 174.8
[M+Na-2H]- 361.16057 176.3
[M]+ 340.18535 176.1
[M]- 340.18645 176.1
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