CID 481352

[(3s)-tetrahydrofuran-3-yl] n-[(1s)-4-(benzenesulfonamido)-1-benzyl-3,3-difluoro-2-oxo-5-phenyl-pentyl]carbamate

Structural Information

Molecular Formula
C29H30F2N2O6S
SMILES
C1COC[C@H]1OC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)C(C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4)(F)F
InChI
InChI=1S/C29H30F2N2O6S/c30-29(31,26(19-22-12-6-2-7-13-22)33-40(36,37)24-14-8-3-9-15-24)27(34)25(18-21-10-4-1-5-11-21)32-28(35)39-23-16-17-38-20-23/h1-15,23,25-26,33H,16-20H2,(H,32,35)/t23-,25-,26?/m0/s1
InChIKey
XCLMJBFDYYWDBB-BRVRNLPISA-N
Compound name
[(3S)-oxolan-3-yl] N-[(2S)-5-(benzenesulfonamido)-4,4-difluoro-3-oxo-1,6-diphenylhexan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.17926 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.18654 229.2
[M+Na]+ 595.16848 227.6
[M-H]- 571.17198 237.5
[M+NH4]+ 590.21308 230.8
[M+K]+ 611.14242 225.5
[M+H-H2O]+ 555.17652 218.1
[M+HCOO]- 617.17746 238.1
[M+CH3COO]- 631.19311 250.2
[M+Na-2H]- 593.15393 228.9
[M]+ 572.17871 227.8
[M]- 572.17981 227.8
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

No patent data available for this compound.