CID 472346

(5r)-3-(2,3-dihydroxypropyl)-1-(3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)-5-benzylpyrrolidin-2-one

Structural Information

Molecular Formula
C30H42N2O7S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)CC(CN3[C@H](CC(C3=O)CC(CO)O)CC4=CC=CC=C4)O
InChI
InChI=1S/C30H42N2O7S/c1-39-28-11-13-29(14-12-28)40(37,38)31(18-23-9-5-6-10-23)19-27(35)20-32-25(15-22-7-3-2-4-8-22)16-24(30(32)36)17-26(34)21-33/h2-4,7-8,11-14,23-27,33-35H,5-6,9-10,15-21H2,1H3/t24?,25-,26?,27?/m0/s1
InChIKey
SCQZXHAKTBSUOY-OBZFIXDXSA-N
Compound name
N-[3-[(5R)-5-benzyl-3-(2,3-dihydroxypropyl)-2-oxopyrrolidin-1-yl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.2713 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.27858 234.3
[M+Na]+ 597.26052 232.1
[M-H]- 573.26402 241.6
[M+NH4]+ 592.30512 237.7
[M+K]+ 613.23446 229.4
[M+H-H2O]+ 557.26856 226.4
[M+HCOO]- 619.26950 241.1
[M+CH3COO]- 633.28515 249.4
[M+Na-2H]- 595.24597 226.3
[M]+ 574.27075 235.8
[M]- 574.27185 235.8
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.