CID 7017910

Fmoc-asp-otbu

Structural Information

Molecular Formula
C23H25NO6
SMILES
CC(C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H25NO6/c1-23(2,3)30-21(27)19(12-20(25)26)24-22(28)29-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,25,26)/t19-/m0/s1
InChIKey
VZXQYACYLGRQJU-IBGZPJMESA-N
Compound name
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

638
Patents

411.16818 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.17546 195.5
[M+Na]+ 434.15740 202.7
[M+NH4]+ 429.20200 199.7
[M+K]+ 450.13134 201.4
[M-H]- 410.16090 194.4
[M+Na-2H]- 432.14285 196.2
[M]+ 411.16763 195.7
[M]- 411.16873 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

literature stripe

Patent stripe

patents stripe