CID 16073556

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

Structural Information

Molecular Formula
C29H40N4O6S
SMILES
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@H](C(C)C)N2C=CNC2=O)O)S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C29H40N4O6S/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/h6-16,20-21,25-27,34H,17-19H2,1-5H3,(H,30,36)(H,31,35)/t25-,26+,27-/m0/s1
InChIKey
QAYHCBGLUQBDKY-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-oxo-1H-imidazol-3-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

572.26685 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.27413 233.3
[M+Na]+ 595.25607 231.4
[M-H]- 571.25957 238.1
[M+NH4]+ 590.30067 233.9
[M+K]+ 611.23001 229.7
[M+H-H2O]+ 555.26411 223.7
[M+HCOO]- 617.26505 241.0
[M+CH3COO]- 631.28070 256.2
[M+Na-2H]- 593.24152 227.7
[M]+ 572.26630 237.6
[M]- 572.26740 237.6
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.