CID 15956722

(2s)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-[[4-[(e)-hydroxyiminomethyl]phenyl]sulfonyl-isobutyl-amino]propyl]-2-[3-[[6-(methoxymethyl)-2-pyridyl]methyl]-2-oxo-imidazolidin-1-yl]-3-methyl-pentanamide

Structural Information

Molecular Formula
C38H52N6O7S
SMILES
CCC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CN(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)/C=N/O)O)N3CCN(C3=O)CC4=NC(=CC=C4)COC
InChI
InChI=1S/C38H52N6O7S/c1-6-28(4)36(44-20-19-42(38(44)47)24-31-13-10-14-32(40-31)26-51-5)37(46)41-34(21-29-11-8-7-9-12-29)35(45)25-43(23-27(2)3)52(49,50)33-17-15-30(16-18-33)22-39-48/h7-18,22,27-28,34-36,45,48H,6,19-21,23-26H2,1-5H3,(H,41,46)/b39-22+/t28?,34-,35+,36-/m0/s1
InChIKey
CUYFYZGWWWEODC-JVPTXJDXSA-N
Compound name
(2S)-N-[(2S,3R)-3-hydroxy-4-[[4-[(E)-hydroxyiminomethyl]phenyl]sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-[3-[[6-(methoxymethyl)pyridin-2-yl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

736.3618 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 737.36908 265.7
[M+Na]+ 759.35102 259.6
[M-H]- 735.35452 272.2
[M+NH4]+ 754.39562 258.0
[M+K]+ 775.32496 258.6
[M+H-H2O]+ 719.35906 254.3
[M+HCOO]- 781.36000 270.5
[M+CH3COO]- 795.37565 290.9
[M+Na-2H]- 757.33647 259.6
[M]+ 736.36125 270.4
[M]- 736.36235 270.4
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.