BO5
Summary
| Name: | (9E)-19-CHLORANYL-13-METHYL-16,18-BIS(OXIDANYL)-13-AZABICYCLO[13.4.0]NONADECA-1(15),9,16,18-TETRAENE-3,14-DIONE |
| Formula: | C19 H24 Cl N O4 |
| Formal charge: | 0 |
| Formula weight: | 365.851 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5E)-14-chloro-15,17-dihydroxy-2-methyl-2,3,4,7,8,9,10,11-octahydro-1H-2-benzazacyclopentadecine-1,12(13H)-dione |
| OpenEye OEToolkits | 1.9.2 | (9E)-19-chloranyl-13-methyl-16,18-bis(oxidanyl)-13-azabicyclo[13.4.0]nonadeca-1(15),9,16,18-tetraene-3,14-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c1c(O)cc(O)c(Cl)c1CC(=O)CCCCCC=CCCN2C |
| InChI | InChI | 1.03 | InChI=1S/C19H24ClNO4/c1-21-10-8-6-4-2-3-5-7-9-13(22)11-14-17(19(21)25)15(23)12-16(24)18(14)20/h4,6,12,23-24H,2-3,5,7-11H2,1H3/b6-4+ |
| InChIKey | InChI | 1.03 | WWDYZJACOLMKDH-GQCTYLIASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CC/C=C/CCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O |
| SMILES | CACTVS | 3.385 | CN1CCC=CCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN1CC/C=C/CCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN1CCC=CCCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O |
