CID 16073554

(2s)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]-3-methyl-2-(2-oxoimidazolidin-1-yl)butanamide

Structural Information

Molecular Formula
C29H42N4O6S
SMILES
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@H](C(C)C)N2CCNC2=O)O)S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C29H42N4O6S/c1-20(2)18-32(40(37,38)24-13-11-23(39-5)12-14-24)19-26(34)25(17-22-9-7-6-8-10-22)31-28(35)27(21(3)4)33-16-15-30-29(33)36/h6-14,20-21,25-27,34H,15-19H2,1-5H3,(H,30,36)(H,31,35)/t25-,26+,27-/m0/s1
InChIKey
BNHYEXZNNIXFNU-VJGNERBWSA-N
Compound name
(2S)-N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-methyl-2-(2-oxoimidazolidin-1-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

574.28253 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.28981 232.9
[M+Na]+ 597.27175 229.2
[M-H]- 573.27525 236.7
[M+NH4]+ 592.31635 233.2
[M+K]+ 613.24569 227.9
[M+H-H2O]+ 557.27979 223.7
[M+HCOO]- 619.28073 237.9
[M+CH3COO]- 633.29638 257.0
[M+Na-2H]- 595.25720 225.9
[M]+ 574.28198 234.6
[M]- 574.28308 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

literature stripe

Patent stripe

No patent data available for this compound.