CID 472343

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

Structural Information

Molecular Formula
C34H42N2O5S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)CC(CN3[C@H](CC(C3=O)CC4=CC=CC=C4)CC5=CC=CC=C5)O
InChI
InChI=1S/C34H42N2O5S/c1-41-32-16-18-33(19-17-32)42(39,40)35(23-28-14-8-9-15-28)24-31(37)25-36-30(21-27-12-6-3-7-13-27)22-29(34(36)38)20-26-10-4-2-5-11-26/h2-7,10-13,16-19,28-31,37H,8-9,14-15,20-25H2,1H3/t29?,30-,31?/m0/s1
InChIKey
YTGKHEDTLHRZGX-HRONLVMISA-N
Compound name
N-(cyclopentylmethyl)-N-[3-[(5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-2-hydroxypropyl]-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

56
Patents

590.28143 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.28871 242.3
[M+Na]+ 613.27065 241.7
[M-H]- 589.27415 255.1
[M+NH4]+ 608.31525 246.1
[M+K]+ 629.24459 237.2
[M+H-H2O]+ 573.27869 232.4
[M+HCOO]- 635.27963 252.6
[M+CH3COO]- 649.29528 255.6
[M+Na-2H]- 611.25610 234.6
[M]+ 590.28088 243.5
[M]- 590.28198 243.5
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.