CID 476619

Fmoc-[d-phe(f,f)-pro]-val-val-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](C(C2=CC=CC=C2)(F)F)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C40H46F2N4O7/c1-23(2)32(36(48)44-33(24(3)4)38(50)52-5)43-35(47)31-20-13-21-46(31)37(49)34(40(41,42)25-14-7-6-8-15-25)45-39(51)53-22-30-28-18-11-9-16-26(28)27-17-10-12-19-29(27)30/h6-12,14-19,23-24,30-34H,13,20-22H2,1-5H3,(H,43,47)(H,44,48)(H,45,51)/t31-,32-,33-,34-/m0/s1
InChIKey
BLYLYZOFPGSVLU-CUPIEXAXSA-N
Compound name
methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-difluoro-3-phenylpropanoyl]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 264.2
[M+Na]+ 755.32266 256.9
[M-H]- 731.32616 269.3
[M+NH4]+ 750.36726 262.2
[M+K]+ 771.29660 258.5
[M+H-H2O]+ 715.33070 254.9
[M+HCOO]- 777.33164 269.3
[M+CH3COO]- 791.34729 291.1
[M+Na-2H]- 753.30811 254.2
[M]+ 732.33289 263.3
[M]- 732.33399 263.3
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.