CID 481270

((2r)-4,6-dioxabicyclo[3.3.0]oct-2-yloxy)-n-((3s)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butyl)-n-(2-phenylethyl)carboxamide

Structural Information

Molecular Formula
C30H42N2O8S
SMILES
CC(C)CN(C[C@H](CCN(CCC1=CC=CC=C1)C(=O)O[C@H]2COC3C2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C30H42N2O8S/c1-22(2)19-32(41(35,36)26-11-9-25(37-3)10-12-26)20-24(33)14-17-31(16-13-23-7-5-4-6-8-23)30(34)40-28-21-39-29-27(28)15-18-38-29/h4-12,22,24,27-29,33H,13-21H2,1-3H3/t24-,27?,28-,29?/m0/s1
InChIKey
GVJRWLPDNVRYDF-ADTOBQDOSA-N
Compound name
[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(3S)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butyl]-N-(2-phenylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.2662 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.27348 241.5
[M+Na]+ 613.25542 238.8
[M-H]- 589.25892 252.4
[M+NH4]+ 608.30002 245.5
[M+K]+ 629.22936 241.8
[M+H-H2O]+ 573.26346 234.8
[M+HCOO]- 635.26440 251.3
[M+CH3COO]- 649.28005 260.2
[M+Na-2H]- 611.24087 237.5
[M]+ 590.26565 250.1
[M]- 590.26675 250.1
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.