CID 46737384

Fmoc-pen(acm)-oh

Structural Information

Molecular Formula
C23H26N2O5S
SMILES
CC(=O)NCSC(C)(C)[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H26N2O5S/c1-14(26)24-13-31-23(2,3)20(21(27)28)25-22(29)30-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-13H2,1-3H3,(H,24,26)(H,25,29)(H,27,28)/t20-/m1/s1
InChIKey
HJXCJYNKTHOYRD-HXUWFJFHSA-N
Compound name
(2R)-3-(acetamidomethylsulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

442.15625 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.16353 202.9
[M+Na]+ 465.14547 208.5
[M+NH4]+ 460.19007 207.4
[M+K]+ 481.11941 205.1
[M-H]- 441.14897 202.5
[M+Na-2H]- 463.13092 203.8
[M]+ 442.15570 203.5
[M]- 442.15680 203.5
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