CID 3011057

Benzyl n-[(1s)-1-[[(1s,4s)-1-benzyl-3,3-difluoro-4-methoxy-2-oxo-5-phenyl-pentyl]carbamoyl]-2-methyl-propyl]carbamate

Structural Information

Molecular Formula
C32H36F2N2O5
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C([C@H](CC2=CC=CC=C2)OC)(F)F)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C32H36F2N2O5/c1-22(2)28(36-31(39)41-21-25-17-11-6-12-18-25)30(38)35-26(19-23-13-7-4-8-14-23)29(37)32(33,34)27(40-3)20-24-15-9-5-10-16-24/h4-18,22,26-28H,19-21H2,1-3H3,(H,35,38)(H,36,39)/t26-,27-,28-/m0/s1
InChIKey
ZLYPCUZCFCSWJW-KCHLEUMXSA-N
Compound name
benzyl N-[(2S)-1-[[(2S,5S)-4,4-difluoro-5-methoxy-3-oxo-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.2592 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.26648 236.7
[M+Na]+ 589.24842 233.3
[M-H]- 565.25192 240.7
[M+NH4]+ 584.29302 237.6
[M+K]+ 605.22236 231.1
[M+H-H2O]+ 549.25646 223.6
[M+HCOO]- 611.25740 248.9
[M+CH3COO]- 625.27305 258.2
[M+Na-2H]- 587.23387 231.4
[M]+ 566.25865 235.6
[M]- 566.25975 235.6
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.