CID 481388

Benzyl n-[(1s)-4-[benzenesulfonyl(benzyl)amino]-1-benzyl-3,3-difluoro-2-oxo-butyl]carbamate

Structural Information

Molecular Formula
C32H30F2N2O5S
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)C(CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)(F)F)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C32H30F2N2O5S/c33-32(34,24-36(22-26-15-7-2-8-16-26)42(39,40)28-19-11-4-12-20-28)30(37)29(21-25-13-5-1-6-14-25)35-31(38)41-23-27-17-9-3-10-18-27/h1-20,29H,21-24H2,(H,35,38)/t29-/m0/s1
InChIKey
UKVXUPDHUHOCFZ-LJAQVGFWSA-N
Compound name
benzyl N-[(2S)-5-[benzenesulfonyl(benzyl)amino]-4,4-difluoro-3-oxo-1-phenylpentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

592.1843 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.19158 237.7
[M+Na]+ 615.17352 237.0
[M-H]- 591.17702 246.0
[M+NH4]+ 610.21812 238.3
[M+K]+ 631.14746 232.5
[M+H-H2O]+ 575.18156 223.6
[M+HCOO]- 637.18250 249.0
[M+CH3COO]- 651.19815 257.5
[M+Na-2H]- 613.15897 239.1
[M]+ 592.18375 238.3
[M]- 592.18485 238.3
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.