CID 481197

N-((2s)-3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)(3-hydroxy-2-methylphenyl)-n-(2-phenylethyl)carboxamide

Structural Information

Molecular Formula
C32H40N2O6S
SMILES
CC1=C(C=CC=C1O)C(=O)N(CCC2=CC=CC=C2)C[C@@H](CN(CC3CCCC3)S(=O)(=O)C4=CC=C(C=C4)OC)O
InChI
InChI=1S/C32H40N2O6S/c1-24-30(13-8-14-31(24)36)32(37)33(20-19-25-9-4-3-5-10-25)22-27(35)23-34(21-26-11-6-7-12-26)41(38,39)29-17-15-28(40-2)16-18-29/h3-5,8-10,13-18,26-27,35-36H,6-7,11-12,19-23H2,1-2H3/t27-/m0/s1
InChIKey
RIWINMFWCASESB-MHZLTWQESA-N
Compound name
N-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-3-hydroxy-2-methyl-N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.2607 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.26798 238.5
[M+Na]+ 603.24992 236.7
[M-H]- 579.25342 249.0
[M+NH4]+ 598.29452 241.7
[M+K]+ 619.22386 234.2
[M+H-H2O]+ 563.25796 228.2
[M+HCOO]- 625.25890 250.3
[M+CH3COO]- 639.27455 258.0
[M+Na-2H]- 601.23537 233.9
[M]+ 580.26015 241.9
[M]- 580.26125 241.9
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.