CID 481254

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

Structural Information

Molecular Formula
C30H32F2N2O7S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(C(=O)[C@@H](CC3=CC=CC=C3)NC(=O)O[C@H]4CCOC4)(F)F
InChI
InChI=1S/C30H32F2N2O7S/c1-39-24-12-14-26(15-13-24)42(37,38)34(19-23-10-6-3-7-11-23)21-30(31,32)28(35)27(18-22-8-4-2-5-9-22)33-29(36)41-25-16-17-40-20-25/h2-15,25,27H,16-21H2,1H3,(H,33,36)/t25-,27+/m0/s1
InChIKey
HLFSRJBYWDCWFK-AHKZPQOWSA-N
Compound name
[(3S)-oxolan-3-yl] N-[(2R)-5-[benzyl-(4-methoxyphenyl)sulfonylamino]-4,4-difluoro-3-oxo-1-phenylpentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.1898 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.19708 237.5
[M+Na]+ 625.17902 236.2
[M-H]- 601.18252 247.2
[M+NH4]+ 620.22362 238.6
[M+K]+ 641.15296 235.6
[M+H-H2O]+ 585.18706 225.8
[M+HCOO]- 647.18800 247.6
[M+CH3COO]- 661.20365 258.4
[M+Na-2H]- 623.16447 236.8
[M]+ 602.18925 239.8
[M]- 602.19035 239.8
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.