CID 476613

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

Structural Information

Molecular Formula
C33H35FN2O5
SMILES
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C2=CC=CC=C2)F)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C33H35FN2O5/c1-33(2,3)41-31(38)27-18-11-19-36(27)30(37)29(28(34)21-12-5-4-6-13-21)35-32(39)40-20-26-24-16-9-7-14-22(24)23-15-8-10-17-25(23)26/h4-10,12-17,26-29H,11,18-20H2,1-3H3,(H,35,39)/t27-,28?,29-/m0/s1
InChIKey
HTJJELLJYDAHDE-QBGWAWDMSA-N
Compound name
tert-butyl (2S)-1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluoro-3-phenylpropanoyl]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.253 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.26028 235.5
[M+Na]+ 581.24222 235.2
[M-H]- 557.24572 243.1
[M+NH4]+ 576.28682 242.1
[M+K]+ 597.21616 232.0
[M+H-H2O]+ 541.25026 225.8
[M+HCOO]- 603.25120 245.9
[M+CH3COO]- 617.26685 252.9
[M+Na-2H]- 579.22767 229.1
[M]+ 558.25245 235.6
[M]- 558.25355 235.6
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.