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]+ 455.217676 209.7
[M+Na]+ 477.199618 211.2
[M-H]- 453.203124 212.5
[M+NH4]+ 472.244223 220.4
[M+K]+ 493.173558 209.4
[M+H-H2O]+ 437.207660 202.5
[M+HCOO]- 499.208601 225.6
[M+CH3COO]- 513.224251 235.2
[M+Na-2H]- 475.185066 210.0
[M]+ 454.20985142 214.0
[M]- 454.21094858 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.