CID 481226

N-[(2s)-3-({[(2,5-dioxoimidazolidin-4-yl)methyl]sulfonyl}(cyclopentylmethyl)amino)-2-hydroxypropyl]phenyl-n-(2-phenylethyl)carboxamide

Structural Information

Molecular Formula
C28H36N4O6S
SMILES
C1CCC(C1)CN(C[C@H](CN(CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3)O)S(=O)(=O)CC4C(=O)NC(=O)N4
InChI
InChI=1S/C28H36N4O6S/c33-24(18-31(16-15-21-9-3-1-4-10-21)27(35)23-13-5-2-6-14-23)19-32(17-22-11-7-8-12-22)39(37,38)20-25-26(34)30-28(36)29-25/h1-6,9-10,13-14,22,24-25,33H,7-8,11-12,15-20H2,(H2,29,30,34,36)/t24-,25?/m0/s1
InChIKey
PNQCZSPROAUKJL-SKCDSABHSA-N
Compound name
N-[(2S)-3-[cyclopentylmethyl-[(2,5-dioxoimidazolidin-4-yl)methylsulfonyl]amino]-2-hydroxypropyl]-N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.23553 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.24281 226.8
[M+Na]+ 579.22475 223.9
[M-H]- 555.22825 234.0
[M+NH4]+ 574.26935 229.3
[M+K]+ 595.19869 220.9
[M+H-H2O]+ 539.23279 217.8
[M+HCOO]- 601.23373 234.8
[M+CH3COO]- 615.24938 247.8
[M+Na-2H]- 577.21020 221.1
[M]+ 556.23498 224.9
[M]- 556.23608 224.9
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.