CID 47618

Di-pa-dl-lysine

Structural Information

Molecular Formula
C22H26N2O4
SMILES
C1=CC=C(C=C1)CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C22H26N2O4/c25-20(15-17-9-3-1-4-10-17)23-14-8-7-13-19(22(27)28)24-21(26)16-18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2,(H,23,25)(H,24,26)(H,27,28)/t19-/m0/s1
InChIKey
DYRIPFNDRNJQON-IBGZPJMESA-N
Compound name
(2S)-2,6-bis[(2-phenylacetyl)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.18927 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19655 194.5
[M+Na]+ 405.17849 202.4
[M+NH4]+ 400.22309 198.7
[M+K]+ 421.15243 197.1
[M-H]- 381.18199 196.6
[M+Na-2H]- 403.16394 199.3
[M]+ 382.18872 195.7
[M]- 382.18982 195.7
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.