CID 3013749

Lysine derivative 22

Structural Information

Molecular Formula
C32H36N2O5
SMILES
CC(C)CN([C@@H](CCCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C32H36N2O5/c1-22(2)20-34(30(35)23-12-4-3-5-13-23)29(31(36)37)18-10-11-19-33-32(38)39-21-28-26-16-8-6-14-24(26)25-15-7-9-17-27(25)28/h3-9,12-17,22,28-29H,10-11,18-21H2,1-2H3,(H,33,38)(H,36,37)/t29-/m0/s1
InChIKey
SNDWZSJWKANRDD-LJAQVGFWSA-N
Compound name
(2S)-2-[benzoyl(2-methylpropyl)amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

528.26245 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.26973 232.1
[M+Na]+ 551.25167 230.7
[M-H]- 527.25517 238.1
[M+NH4]+ 546.29627 239.0
[M+K]+ 567.22561 228.0
[M+H-H2O]+ 511.25971 222.2
[M+HCOO]- 573.26065 247.4
[M+CH3COO]- 587.27630 253.9
[M+Na-2H]- 549.23712 227.6
[M]+ 528.26190 235.5
[M]- 528.26300 235.5
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.