CID 474434

Fmoc-phe(f,f)o,o-pro-ome

Structural Information

Molecular Formula
C40H46F2N4O7
SMILES
CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=C(C=CC=C2F)F)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C40H46F2N4O7/c1-22(2)34(37(48)45-35(23(3)4)39(50)52-5)44-36(47)33-18-11-19-46(33)38(49)32(20-28-30(41)16-10-17-31(28)42)43-40(51)53-21-29-26-14-8-6-12-24(26)25-13-7-9-15-27(25)29/h6-10,12-17,22-23,29,32-35H,11,18-21H2,1-5H3,(H,43,51)(H,44,47)(H,45,48)/t32-,33-,34-,35-/m0/s1
InChIKey
JCDBSCGFBFPPKD-BBACVFHCSA-N
Compound name
methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-3-(2,6-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

732.33344 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.34072 269.2
[M+Na]+ 755.32266 263.2
[M-H]- 731.32616 274.6
[M+NH4]+ 750.36726 267.5
[M+K]+ 771.29660 263.9
[M+H-H2O]+ 715.33070 259.2
[M+HCOO]- 777.33164 275.6
[M+CH3COO]- 791.34729 293.6
[M+Na-2H]- 753.30811 255.6
[M]+ 732.33289 269.4
[M]- 732.33399 269.4
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.