CID 481354

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

Structural Information

Molecular Formula
C29H30F2N2O6S
SMILES
C1COC[C@H]1OC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)C(CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)(F)F
InChI
InChI=1S/C29H30F2N2O6S/c30-29(31,21-33(19-23-12-6-2-7-13-23)40(36,37)25-14-8-3-9-15-25)27(34)26(18-22-10-4-1-5-11-22)32-28(35)39-24-16-17-38-20-24/h1-15,24,26H,16-21H2,(H,32,35)/t24-,26-/m0/s1
InChIKey
VZFSNNRKNHTNRG-AHWVRZQESA-N
Compound name
[(3S)-oxolan-3-yl] 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

572.17926 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.18654 230.7
[M+Na]+ 595.16848 229.6
[M-H]- 571.17198 240.4
[M+NH4]+ 590.21308 233.0
[M+K]+ 611.14242 228.2
[M+H-H2O]+ 555.17652 219.2
[M+HCOO]- 617.17746 241.1
[M+CH3COO]- 631.19311 252.2
[M+Na-2H]- 593.15393 230.5
[M]+ 572.17871 231.0
[M]- 572.17981 231.0
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.