L4V
Summary
| Name: | 13-Chloro-14,16-dihydroxy-2-methyl-2,3,4,5,9,10-hexahydrobenz[c][1]azacyclotetradecine-1,11(8H,12H)-dione |
| Formula: | C18 H22 Cl N O4 |
| Formal charge: | 0 |
| Formula weight: | 351.825 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6Z)-13-chloro-14,16-dihydroxy-2-methyl-3,4,5,8,9,10-hexahydro-2-benzazacyclotetradecine-1,11(2H,12H)-dione |
| OpenEye OEToolkits | 1.7.6 | (7Z)-18-chloranyl-12-methyl-15,17-bis(oxidanyl)-12-azabicyclo[12.4.0]octadeca-1(14),7,15,17-tetraene-3,13-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c1c(O)cc(O)c(Cl)c1CC(=O)CCCC=CCCCN2C |
| InChI | InChI | 1.03 | InChI=1S/C18H22ClNO4/c1-20-9-7-5-3-2-4-6-8-12(21)10-13-16(18(20)24)14(22)11-15(23)17(13)19/h2-3,11,22-23H,4-10H2,1H3/b3-2- |
| InChIKey | InChI | 1.03 | XARNDFBZFLICCU-IHWYPQMZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC\C=C/CCCC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O |
| SMILES | CACTVS | 3.385 | CN1CCCC=CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1CCC/C=C\CCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN1CCCC=CCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O |
