CID 481302

[(2s)-4-((cyclopentylmethyl){[(5-methylisoxazol-3-yl)methyl]sulfonyl}amino)-2-hydroxybutyl][(4-methoxyphenyl)sulfonyl](2-methylpropyl)amine

Structural Information

Molecular Formula
C26H41N3O7S2
SMILES
CC1=CC(=NO1)CS(=O)(=O)N(CC[C@@H](CN(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)OC)O)CC3CCCC3
InChI
InChI=1S/C26H41N3O7S2/c1-20(2)16-29(38(33,34)26-11-9-25(35-4)10-12-26)18-24(30)13-14-28(17-22-7-5-6-8-22)37(31,32)19-23-15-21(3)36-27-23/h9-12,15,20,22,24,30H,5-8,13-14,16-19H2,1-4H3/t24-/m0/s1
InChIKey
PQKHBIJXXZMOGX-DEOSSOPVSA-N
Compound name
N-[(2S)-4-[cyclopentylmethyl-[(5-methyl-1,2-oxazol-3-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

571.2386 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.24588 235.4
[M+Na]+ 594.22782 235.0
[M-H]- 570.23132 244.1
[M+NH4]+ 589.27242 240.1
[M+K]+ 610.20176 235.0
[M+H-H2O]+ 554.23586 228.6
[M+HCOO]- 616.23680 242.4
[M+CH3COO]- 630.25245 253.9
[M+Na-2H]- 592.21327 233.0
[M]+ 571.23805 244.1
[M]- 571.23915 244.1
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.