EU1
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 |
| Formula: | C24 H28 Cl N3 O7 S |
| Formal charge: | 0 |
| Formula weight: | 538.013 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (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 |
| OpenEye OEToolkits | 2.0.6 | (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 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1c(cc(cn1)COc2ccc(cc2)C=3CC(N(CCC(C)(C(NO)=O)S(C)(=O)=O)CC=3)=O)Cl |
| InChI | InChI | 1.03 | 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 |
| InChIKey | InChI | 1.03 | CDFIGPHKVBKXMP-XMMPIXPASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ncc(COc2ccc(cc2)C3=CCN(CC[C@](C)(C(=O)NO)[S](C)(=O)=O)C(=O)C3)cc1Cl |
| SMILES | CACTVS | 3.385 | COc1ncc(COc2ccc(cc2)C3=CCN(CC[C](C)(C(=O)NO)[S](C)(=O)=O)C(=O)C3)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@](CCN1CC=C(CC1=O)c2ccc(cc2)OCc3cc(c(nc3)OC)Cl)(C(=O)NO)S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(CCN1CC=C(CC1=O)c2ccc(cc2)OCc3cc(c(nc3)OC)Cl)(C(=O)NO)S(=O)(=O)C |
