CID 476615

Fmoc-phe-pro-val-ome

Structural Information

Molecular Formula
C35H39N3O6
SMILES
CC(C)[C@@H](C(=O)OC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C35H39N3O6/c1-22(2)31(34(41)43-3)37-32(39)30-18-11-19-38(30)33(40)29(20-23-12-5-4-6-13-23)36-35(42)44-21-28-26-16-9-7-14-24(26)25-15-8-10-17-27(25)28/h4-10,12-17,22,28-31H,11,18-21H2,1-3H3,(H,36,42)(H,37,39)/t29-,30-,31-/m0/s1
InChIKey
WMQCTTDLEDHCJU-CHQNGUEUSA-N
Compound name
methyl (2S)-2-[[(2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

597.2839 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.29118 242.6
[M+Na]+ 620.27312 239.0
[M-H]- 596.27662 250.8
[M+NH4]+ 615.31772 246.7
[M+K]+ 636.24706 237.6
[M+H-H2O]+ 580.28116 233.2
[M+HCOO]- 642.28210 254.3
[M+CH3COO]- 656.29775 264.1
[M+Na-2H]- 618.25857 234.1
[M]+ 597.28335 243.6
[M]- 597.28445 243.6
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.