CID 11798761

Fmoc-4-(neopentyloxysulfonyl)-abu-oh

Structural Information

Molecular Formula
C24H29NO7S
SMILES
CC(C)(C)COS(=O)(=O)CC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H29NO7S/c1-24(2,3)15-32-33(29,30)13-12-21(22(26)27)25-23(28)31-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20-21H,12-15H2,1-3H3,(H,25,28)(H,26,27)/t21-/m0/s1
InChIKey
TYNFNWKIJOXRLL-NRFANRHFSA-N
Compound name
(2S)-4-(2,2-dimethylpropoxysulfonyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

475.16647 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.17375 209.0
[M+Na]+ 498.15569 214.7
[M+NH4]+ 493.20029 212.3
[M+K]+ 514.12963 212.2
[M-H]- 474.15919 206.7
[M+Na-2H]- 496.14114 209.5
[M]+ 475.16592 209.2
[M]- 475.16702 209.2
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

patents stripe