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 209.7
[M+Na]+ 477.19962 211.2
[M-H]- 453.20312 212.5
[M+NH4]+ 472.24422 220.4
[M+K]+ 493.17356 209.4
[M+H-H2O]+ 437.20766 202.5
[M+HCOO]- 499.20860 225.6
[M+CH3COO]- 513.22425 235.2
[M+Na-2H]- 475.18507 210.0
[M]+ 454.20985 214.0
[M]- 454.21095 214.0
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.