CID 11132998

Boc-l-lys(z)-ome

Structural Information

Molecular Formula
C20H30N2O6
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OC
InChI
InChI=1S/C20H30N2O6/c1-20(2,3)28-19(25)22-16(17(23)26-4)12-8-9-13-21-18(24)27-14-15-10-6-5-7-11-15/h5-7,10-11,16H,8-9,12-14H2,1-4H3,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKey
PUJVYJATJHQXRX-INIZCTEOSA-N
Compound name
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

394.2104 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.21768 194.6
[M+Na]+ 417.19962 199.3
[M+NH4]+ 412.24422 196.9
[M+K]+ 433.17356 197.1
[M-H]- 393.20312 192.6
[M+Na-2H]- 415.18507 195.5
[M]+ 394.20985 194.0
[M]- 394.21095 194.0
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

patents stripe