EU1

(2R)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide

Created: 2018-01-31
Last modified:  2019-03-13

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count64
Chiral Atom Count1
Bond Count66
Aromatic Bond Count12
2D diagram of EU1
Toggle HydrogenToggle Labels

Chemical Component Summary

Name(2R)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
Systematic Name (OpenEye OEToolkits)(2~{R})-4-[4-[4-[(5-chloranyl-6-methoxy-pyridin-3-yl)methoxy]phenyl]-6-oxidanylidene-2,5-dihydropyridin-1-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide
FormulaC24 H28 Cl N3 O7 S
Molecular Weight538.013
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01COc1c(cc(cn1)COc2ccc(cc2)C=3CC(N(CCC(C)(C(NO)=O)S(C)(=O)=O)CC=3)=O)Cl
SMILESCACTVS3.385COc1ncc(COc2ccc(cc2)C3=CCN(CC[C](C)(C(=O)NO)[S](C)(=O)=O)C(=O)C3)cc1Cl
SMILESOpenEye OEToolkits2.0.6CC(CCN1CC=C(CC1=O)c2ccc(cc2)OCc3cc(c(nc3)OC)Cl)(C(=O)NO)S(=O)(=O)C
Canonical SMILESCACTVS3.385 COc1ncc(COc2ccc(cc2)C3=CCN(CC[C@](C)(C(=O)NO)[S](C)(=O)=O)C(=O)C3)cc1Cl
Canonical SMILESOpenEye OEToolkits2.0.6 C[C@@](CCN1CC=C(CC1=O)c2ccc(cc2)OCc3cc(c(nc3)OC)Cl)(C(=O)NO)S(=O)(=O)C
InChIInChI1.03 InChI=1S/C24H28ClN3O7S/c1-24(23(30)27-31,36(3,32)33)9-11-28-10-8-18(13-21(28)29)17-4-6-19(7-5-17)35-15-16-12-20(25)22(34-2)26-14-16/h4-8,12,14,31H,9-11,13,15H2,1-3H3,(H,27,30)/t24-/m1/s1
InChIKeyInChI1.03 CDFIGPHKVBKXMP-XMMPIXPASA-N

Related Resource References

Resource NameReference
PubChem 138753185