CID 476617

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

Structural Information

Molecular Formula
C35H37F2N3O6
SMILES
CC(C)[C@@H](C(=O)OC)NC(=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/C35H37F2N3O6/c1-21(2)29(33(43)45-3)38-31(41)28-18-11-19-40(28)32(42)30(35(36,37)22-12-5-4-6-13-22)39-34(44)46-20-27-25-16-9-7-14-23(25)24-15-8-10-17-26(24)27/h4-10,12-17,21,27-30H,11,18-20H2,1-3H3,(H,38,41)(H,39,44)/t28-,29-,30+/m0/s1
InChIKey
JEPDKKYLWQDCSJ-OIFRRMEBSA-N
Compound name
methyl (2S)-2-[[(2S)-1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-difluoro-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

633.265 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 634.27228 246.3
[M+Na]+ 656.25422 243.2
[M-H]- 632.25772 252.2
[M+NH4]+ 651.29882 249.0
[M+K]+ 672.22816 241.8
[M+H-H2O]+ 616.26226 236.1
[M+HCOO]- 678.26320 254.4
[M+CH3COO]- 692.27885 269.2
[M+Na-2H]- 654.23967 238.7
[M]+ 633.26445 245.2
[M]- 633.26555 245.2
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.