CID 57737980

1196703-48-6

Structural Information

Molecular Formula
C31H32N2O6
SMILES
C[C@@H]1[C@H](N(C(O1)(C)C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C31H32N2O6/c1-19-27(29(35)36)33(31(2,3)39-19)28(34)26(17-20-11-5-4-6-12-20)32-30(37)38-18-25-23-15-9-7-13-21(23)22-14-8-10-16-24(22)25/h4-16,19,25-27H,17-18H2,1-3H3,(H,32,37)(H,35,36)/t19-,26+,27+/m1/s1
InChIKey
FFOYZGOZWLCJDO-VHEIIQRDSA-N
Compound name
(4S,5R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

528.226 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.23328 226.4
[M+Na]+ 551.21522 235.6
[M+NH4]+ 546.25982 232.0
[M+K]+ 567.18916 232.8
[M-H]- 527.21872 231.0
[M+Na-2H]- 549.20067 229.6
[M]+ 528.22545 228.8
[M]- 528.22655 228.8
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