CID 481350

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

Structural Information

Molecular Formula
C28H28F2N2O6S
SMILES
C1COC[C@H]1OC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)C(N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)(F)F
InChI
InChI=1S/C28H28F2N2O6S/c29-28(30,32(19-22-12-6-2-7-13-22)39(35,36)24-14-8-3-9-15-24)26(33)25(18-21-10-4-1-5-11-21)31-27(34)38-23-16-17-37-20-23/h1-15,23,25H,16-20H2,(H,31,34)/t23-,25-/m0/s1
InChIKey
UFBOOFOWZRGZOU-ZCYQVOJMSA-N
Compound name
[(3S)-oxolan-3-yl] N-[(2S)-4-[benzenesulfonyl(benzyl)amino]-4,4-difluoro-3-oxo-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.16364 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.17092 226.6
[M+Na]+ 581.15286 225.9
[M-H]- 557.15636 236.5
[M+NH4]+ 576.19746 229.5
[M+K]+ 597.12680 224.6
[M+H-H2O]+ 541.16090 215.2
[M+HCOO]- 603.16184 237.3
[M+CH3COO]- 617.17749 249.4
[M+Na-2H]- 579.13831 226.8
[M]+ 558.16309 226.6
[M]- 558.16419 226.6
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.