CID 481297

5-({[((3s)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butyl)(cyclopentylmethyl)amino]sulfonyl}methyl)imidazolidine-2,4-dione

Structural Information

Molecular Formula
C25H40N4O8S2
SMILES
CC(C)CN(C[C@H](CCN(CC1CCCC1)S(=O)(=O)CC2C(=O)NC(=O)N2)O)S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C25H40N4O8S2/c1-18(2)14-29(39(35,36)22-10-8-21(37-3)9-11-22)16-20(30)12-13-28(15-19-6-4-5-7-19)38(33,34)17-23-24(31)27-25(32)26-23/h8-11,18-20,23,30H,4-7,12-17H2,1-3H3,(H2,26,27,31,32)/t20-,23?/m0/s1
InChIKey
IRMPURKHMIDRHH-AJZOCDQUSA-N
Compound name
N-[(2S)-4-[cyclopentylmethyl-[(2,5-dioxoimidazolidin-4-yl)methylsulfonyl]amino]-2-hydroxybutyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.22876 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.23604 231.9
[M+Na]+ 611.21798 229.2
[M-H]- 587.22148 235.3
[M+NH4]+ 606.26258 234.0
[M+K]+ 627.19192 227.4
[M+H-H2O]+ 571.22602 225.7
[M+HCOO]- 633.22696 233.4
[M+CH3COO]- 647.24261 252.3
[M+Na-2H]- 609.20343 228.4
[M]+ 588.22821 234.6
[M]- 588.22931 234.6
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.