CID 474424

Fmoc-phe-pro-otbu

Structural Information

Molecular Formula
C33H36N2O5
SMILES
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C33H36N2O5/c1-33(2,3)40-31(37)29-18-11-19-35(29)30(36)28(20-22-12-5-4-6-13-22)34-32(38)39-21-27-25-16-9-7-14-23(25)24-15-8-10-17-26(24)27/h4-10,12-17,27-29H,11,18-21H2,1-3H3,(H,34,38)/t28-,29-/m0/s1
InChIKey
OPRGQVDHBIXMFH-VMPREFPWSA-N
Compound name
tert-butyl (2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.26245 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.26973 233.3
[M+Na]+ 563.25167 233.2
[M-H]- 539.25517 242.1
[M+NH4]+ 558.29627 240.8
[M+K]+ 579.22561 229.8
[M+H-H2O]+ 523.25971 224.2
[M+HCOO]- 585.26065 245.7
[M+CH3COO]- 599.27630 249.6
[M+Na-2H]- 561.23712 228.3
[M]+ 540.26190 234.8
[M]- 540.26300 234.8
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.