CID 472342

(5s)-1-(3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)-4-hydroxy-5-benzylpyrrolidin-2-one

Structural Information

Molecular Formula
C27H36N2O6S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)CC(CN3[C@H](C(CC3=O)O)CC4=CC=CC=C4)O
InChI
InChI=1S/C27H36N2O6S/c1-35-23-11-13-24(14-12-23)36(33,34)28(17-21-9-5-6-10-21)18-22(30)19-29-25(26(31)16-27(29)32)15-20-7-3-2-4-8-20/h2-4,7-8,11-14,21-22,25-26,30-31H,5-6,9-10,15-19H2,1H3/t22?,25-,26?/m0/s1
InChIKey
FXBZGHJWCVGITD-FQHXLYSSSA-N
Compound name
N-[3-[(2S)-2-benzyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.22943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.23671 222.1
[M+Na]+ 539.21865 222.7
[M-H]- 515.22215 231.3
[M+NH4]+ 534.26325 228.9
[M+K]+ 555.19259 219.4
[M+H-H2O]+ 499.22669 214.1
[M+HCOO]- 561.22763 232.2
[M+CH3COO]- 575.24328 239.8
[M+Na-2H]- 537.20410 215.7
[M]+ 516.22888 223.5
[M]- 516.22998 223.5
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.