CID 51340577

339531-50-9

Structural Information

Molecular Formula
C27H32N2O6
SMILES
CC(C)C[C@@H](C(=O)N1[C@@H](COC1(C)C)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C27H32N2O6/c1-16(2)13-22(24(30)29-23(25(31)32)15-35-27(29,3)4)28-26(33)34-14-21-19-11-7-5-9-17(19)18-10-6-8-12-20(18)21/h5-12,16,21-23H,13-15H2,1-4H3,(H,28,33)(H,31,32)/t22-,23-/m0/s1
InChIKey
BUYLKVIICSUHDX-GOTSBHOMSA-N
Compound name
(4S)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

480.22604 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.23332 214.0
[M+Na]+ 503.21526 220.3
[M+NH4]+ 498.25986 218.9
[M+K]+ 519.18920 219.5
[M-H]- 479.21876 215.4
[M+Na-2H]- 501.20071 214.2
[M]+ 480.22549 214.8
[M]- 480.22659 214.8
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