CID 2756135

176486-63-8

Structural Information

Molecular Formula
C25H28N2O6
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H28N2O6/c1-25(2,3)33-24(31)27-13-15(12-21(27)22(28)29)26-23(30)32-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-21H,12-14H2,1-3H3,(H,26,30)(H,28,29)/t15-,21+/m1/s1
InChIKey
UPXRTVAIJMUAQR-VFNWGFHPSA-N
Compound name
(2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

452.19473 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.20201 205.6
[M+Na]+ 475.18395 212.2
[M+NH4]+ 470.22855 209.6
[M+K]+ 491.15789 213.0
[M-H]- 451.18745 205.7
[M+Na-2H]- 473.16940 206.0
[M]+ 452.19418 206.0
[M]- 452.19528 206.0
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