F64

(2S)-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: 2018-03-01
Last modified:  2019-03-13

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Chemical Details

Formal Charge0
Atom Count64
Chiral Atom Count1
Bond Count66
Aromatic Bond Count12
2D diagram of F64
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Chemical Component Summary

Name(2S)-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~{S})-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
SMILESACDLabs12.01COc3ncc(COc2ccc(C1=CCN(C(C1)=O)CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cc3Cl
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-/m0/s1
InChIKeyInChI1.03 CDFIGPHKVBKXMP-DEOSSOPVSA-N

Related Resource References

Resource NameReference
PubChem 138753196