CID 476616

Fmoc-[phe(f)-pro]-val-ome

Structural Information

Molecular Formula
C35H38FN3O6
SMILES
CC(C)[C@@H](C(=O)OC)NC(=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/C35H38FN3O6/c1-21(2)30(34(42)44-3)37-32(40)28-18-11-19-39(28)33(41)31(29(36)22-12-5-4-6-13-22)38-35(43)45-20-27-25-16-9-7-14-23(25)24-15-8-10-17-26(24)27/h4-10,12-17,21,27-31H,11,18-20H2,1-3H3,(H,37,40)(H,38,43)/t28-,29?,30-,31-/m0/s1
InChIKey
GXTLMLKVXXNBRP-LFCSJMILSA-N
Compound name
methyl (2S)-2-[[(2S)-1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluoro-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

615.2745 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 616.28178 244.7
[M+Na]+ 638.26372 241.0
[M-H]- 614.26722 251.7
[M+NH4]+ 633.30832 248.0
[M+K]+ 654.23766 239.8
[M+H-H2O]+ 598.27176 234.9
[M+HCOO]- 660.27270 254.5
[M+CH3COO]- 674.28835 267.3
[M+Na-2H]- 636.24917 234.9
[M]+ 615.27395 244.4
[M]- 615.27505 244.4
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.