CID 132344254

2137095-89-5

Structural Information

Molecular Formula
C31H35N3O6
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](C1)N(CC2=CC=C(N2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C31H35N3O6/c1-31(2,3)40-29(37)33-16-8-9-21(18-33)34(17-20-14-15-27(32-20)28(35)36)30(38)39-19-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h4-7,10-15,21,26,32H,8-9,16-19H2,1-3H3,(H,35,36)/t21-/m1/s1
InChIKey
SDVAPPMBGGJVSN-OAQYLSRUSA-N
Compound name
5-[[9H-fluoren-9-ylmethoxycarbonyl-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]methyl]-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.25256 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.25984 227.3
[M+Na]+ 568.24178 234.1
[M+NH4]+ 563.28638 230.6
[M+K]+ 584.21572 234.7
[M-H]- 544.24528 229.1
[M+Na-2H]- 566.22723 229.1
[M]+ 545.25201 228.2
[M]- 545.25311 228.2
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.