CID 476614

Fmoc-[phe(f,f)-pro]-otbu

Structural Information

Molecular Formula
C33H34F2N2O5
SMILES
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C2=CC=CC=C2)(F)F)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C33H34F2N2O5/c1-32(2,3)42-30(39)27-18-11-19-37(27)29(38)28(33(34,35)21-12-5-4-6-13-21)36-31(40)41-20-26-24-16-9-7-14-22(24)23-15-8-10-17-25(23)26/h4-10,12-17,26-28H,11,18-20H2,1-3H3,(H,36,40)/t27-,28+/m0/s1
InChIKey
OHEDRFIMTUGLPU-WUFINQPMSA-N
Compound name
tert-butyl (2S)-1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-difluoro-3-phenylpropanoyl]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.2436 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.25088 237.9
[M+Na]+ 599.23282 238.4
[M-H]- 575.23632 244.4
[M+NH4]+ 594.27742 244.0
[M+K]+ 615.20676 234.9
[M+H-H2O]+ 559.24086 227.9
[M+HCOO]- 621.24180 246.7
[M+CH3COO]- 635.25745 254.9
[M+Na-2H]- 597.21827 233.7
[M]+ 576.24305 237.2
[M]- 576.24415 237.2
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.