CID 460934

Aminodiol oh-cpenconh2 deriv.

Structural Information

Molecular Formula
C33H49N3O6
SMILES
CC1(CCC[C@]1(C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CNC[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O)O)O)C
InChI
InChI=1S/C33H49N3O6/c1-31(2,3)42-30(40)36-26(20-24-15-10-7-11-16-24)28(38)22-34-21-27(37)25(19-23-13-8-6-9-14-23)35-29(39)33(41)18-12-17-32(33,4)5/h6-11,13-16,25-28,34,37-38,41H,12,17-22H2,1-5H3,(H,35,39)(H,36,40)/t25-,26-,27+,28+,33+/m0/s1
InChIKey
GZRPFKQUEFGHFZ-KWOKOKFZSA-N
Compound name
tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[[(1S)-1-hydroxy-2,2-dimethylcyclopentanecarbonyl]amino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

583.3621 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.36938 240.5
[M+Na]+ 606.35132 235.1
[M-H]- 582.35482 243.4
[M+NH4]+ 601.39592 245.0
[M+K]+ 622.32526 234.7
[M+H-H2O]+ 566.35936 233.5
[M+HCOO]- 628.36030 250.2
[M+CH3COO]- 642.37595 257.5
[M+Na-2H]- 604.33677 236.0
[M]+ 583.36155 238.1
[M]- 583.36265 238.1
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.