CID 122173625

2044710-07-6

Structural Information

Molecular Formula
C25H30N2O6
SMILES
CC(C)(C)OC(=O)N[C@@H](CCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)CC(=O)O
InChI
InChI=1S/C25H30N2O6/c1-25(2,3)33-24(31)27-16(14-22(28)29)12-13-26-23(30)32-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3,(H,26,30)(H,27,31)(H,28,29)/t16-/m0/s1
InChIKey
ARJKICPHNOHAJG-INIZCTEOSA-N
Compound name
(3S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.2104 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.21768 207.8
[M+Na]+ 477.19962 213.3
[M+NH4]+ 472.24422 211.2
[M+K]+ 493.17356 212.0
[M-H]- 453.20312 206.9
[M+Na-2H]- 475.18507 207.8
[M]+ 454.20985 207.7
[M]- 454.21095 207.7
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.