CID 481222

N-((2s)-3-{(cyclopentylmethyl)[(4-hydroxy-1,1-dioxothiolan-3-yl)sulfonyl]amino}-2-hydroxypropyl)phenyl-n-(2-phenylethyl)carboxamide

Structural Information

Molecular Formula
C28H38N2O7S2
SMILES
C1CCC(C1)CN(C[C@H](CN(CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3)O)S(=O)(=O)C4CS(=O)(=O)CC4O
InChI
InChI=1S/C28H38N2O7S2/c31-25(18-29(16-15-22-9-3-1-4-10-22)28(33)24-13-5-2-6-14-24)19-30(17-23-11-7-8-12-23)39(36,37)27-21-38(34,35)20-26(27)32/h1-6,9-10,13-14,23,25-27,31-32H,7-8,11-12,15-21H2/t25-,26?,27?/m0/s1
InChIKey
LJLPUZOZNJTAAM-JRFCFUNGSA-N
Compound name
N-[(2S)-3-[cyclopentylmethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxypropyl]-N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.21204 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.21932 234.3
[M+Na]+ 601.20126 232.7
[M-H]- 577.20476 244.0
[M+NH4]+ 596.24586 241.6
[M+K]+ 617.17520 230.6
[M+H-H2O]+ 561.20930 228.2
[M+HCOO]- 623.21024 241.1
[M+CH3COO]- 637.22589 249.6
[M+Na-2H]- 599.18671 231.5
[M]+ 578.21149 236.6
[M]- 578.21259 236.6
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.