CID 16213170

Fmoc-thr(bzl)-oh

Structural Information

Molecular Formula
C26H25NO5
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OCC4=CC=CC=C4
InChI
InChI=1S/C26H25NO5/c1-17(31-15-18-9-3-2-4-10-18)24(25(28)29)27-26(30)32-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,17,23-24H,15-16H2,1H3,(H,27,30)(H,28,29)/t17-,24+/m1/s1
InChIKey
UCDMMWCWPVCHLL-OSPHWJPCSA-N
Compound name
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylmethoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

431.17328 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.18056 203.6
[M+Na]+ 454.16250 213.9
[M+NH4]+ 449.20710 209.6
[M+K]+ 470.13644 209.6
[M-H]- 430.16600 206.8
[M+Na-2H]- 452.14795 208.0
[M]+ 431.17273 205.7
[M]- 431.17383 205.7
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

patents stripe