7FK
Summary
| Name: | 15-Chloro-16,18-dihydroxy-2-methyl-3,4,7,8,9,10,11,12-octahydrobenz[c][1]azacyclohexadecine-1,13(2H,14H)-dione |
| Formula: | C20 H26 Cl N O4 |
| Formal charge: | 0 |
| Formula weight: | 379.878 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5E)-15-chloro-16,18-dihydroxy-2-methyl-3,4,7,8,9,10,11,12-octahydro-2-benzazacyclohexadecine-1,13(2H,14H)-dione |
| OpenEye OEToolkits | 1.9.2 | (10E)-20-chloranyl-14-methyl-17,19-bis(oxidanyl)-14-azabicyclo[14.4.0]icosa-1(16),10,17,19-tetraene-3,15-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c1c(O)cc(O)c(Cl)c1CC(=O)CCCCCCC=CCCN2C |
| InChI | InChI | 1.03 | InChI=1S/C20H26ClNO4/c1-22-11-9-7-5-3-2-4-6-8-10-14(23)12-15-18(20(22)26)16(24)13-17(25)19(15)21/h5,7,13,24-25H,2-4,6,8-12H2,1H3/b7-5+ |
| InChIKey | InChI | 1.03 | UIQMIQCVIZUPCD-FNORWQNLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CC/C=C/CCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O |
| SMILES | CACTVS | 3.385 | CN1CCC=CCCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN1CC/C=C/CCCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN1CCC=CCCCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O |
