CID 474425

Fmoc-phe(f)o-pro-otbu

Structural Information

Molecular Formula
C33H35FN2O5
SMILES
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2F)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C33H35FN2O5/c1-33(2,3)41-31(38)29-17-10-18-36(29)30(37)28(19-21-11-4-9-16-27(21)34)35-32(39)40-20-26-24-14-7-5-12-22(24)23-13-6-8-15-25(23)26/h4-9,11-16,26,28-29H,10,17-20H2,1-3H3,(H,35,39)/t28-,29-/m0/s1
InChIKey
WEMCYWLUEIQEQC-VMPREFPWSA-N
Compound name
tert-butyl (2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoyl]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.253 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.26028 236.9
[M+Na]+ 581.24222 237.8
[M-H]- 557.24572 244.7
[M+NH4]+ 576.28682 243.9
[M+K]+ 597.21616 233.9
[M+H-H2O]+ 541.25026 227.1
[M+HCOO]- 603.25120 248.2
[M+CH3COO]- 617.26685 253.3
[M+Na-2H]- 579.22767 230.7
[M]+ 558.25245 237.9
[M]- 558.25355 237.9
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.