CID 481272

[(3s)-tetrahydrofuran-3-yl] n-(2-cyclopentylethyl)-n-[(3s)-3-hydroxy-4-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]butyl]carbamate

Structural Information

Molecular Formula
C27H44N2O7S
SMILES
CC(C)CN(C[C@H](CCN(CCC1CCCC1)C(=O)O[C@H]2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C27H44N2O7S/c1-21(2)18-29(37(32,33)26-10-8-24(34-3)9-11-26)19-23(30)13-16-28(15-12-22-6-4-5-7-22)27(31)36-25-14-17-35-20-25/h8-11,21-23,25,30H,4-7,12-20H2,1-3H3/t23-,25-/m0/s1
InChIKey
BQQFUVUIAHCGIZ-ZCYQVOJMSA-N
Compound name
[(3S)-oxolan-3-yl] N-(2-cyclopentylethyl)-N-[(3S)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.2869 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.29418 232.1
[M+Na]+ 563.27612 228.1
[M-H]- 539.27962 241.1
[M+NH4]+ 558.32072 238.5
[M+K]+ 579.25006 229.9
[M+H-H2O]+ 523.28416 224.7
[M+HCOO]- 585.28510 242.4
[M+CH3COO]- 599.30075 250.3
[M+Na-2H]- 561.26157 225.3
[M]+ 540.28635 237.2
[M]- 540.28745 237.2
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.