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

85
Patents

394.2104 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.217676 196.6
[M+Na]+ 417.199618 197.5
[M-H]- 393.203124 198.6
[M+NH4]+ 412.244223 206.7
[M+K]+ 433.173558 197.6
[M+H-H2O]+ 377.207660 188.2
[M+HCOO]- 439.208601 215.9
[M+CH3COO]- 453.224251 224.0
[M+Na-2H]- 415.185066 196.3
[M]+ 394.20985142 201.9
[M]- 394.21094858 201.9
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