JZB
Summary
| Name: | (5E,9E,11E)-13-chloro-14,16-dihydroxy-3,4,7,8-tetrahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione 11-[O-(2-oxo-2-piperidin-1-ylethyl)oxime] |
| Formula: | C24 H29 Cl N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 476.95 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | (5E,9E,11E)-13-chloro-14,16-dihydroxy-11-{[2-oxo-2-(piperidin-1-yl)ethoxy]imino}-3,4,7,8,11,12-hexahydro-1H-2-benzoxacyclotetradecin-1-one |
| OpenEye OEToolkits | 1.6.1 | (3E,4E,8E)-18-chloro-15,17-dihydroxy-3-(2-oxo-2-piperidin-1-yl-ethoxy)imino-12-oxabicyclo[12.4.0]octadeca-1(18),4,8,14,16-pentaen-13-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C2OCCC=CCCC=C\C(=N\OCC(=O)N1CCCCC1)Cc3c2c(O)cc(O)c3Cl |
| SMILES_CANONICAL | CACTVS | 3.352 | Oc1cc(O)c2C(=O)OCC\C=C\CC/C=C/C(Cc2c1Cl)=N/OCC(=O)N3CCCCC3 |
| SMILES | CACTVS | 3.352 | Oc1cc(O)c2C(=O)OCCC=CCCC=CC(Cc2c1Cl)=NOCC(=O)N3CCCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c(c2c(c(c1O)Cl)C/C(=N\OCC(=O)N3CCCCC3)/C=C/CC/C=C/CCOC2=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1c(c2c(c(c1O)Cl)CC(=NOCC(=O)N3CCCCC3)C=CCCC=CCCOC2=O)O |
| InChI | InChI | 1.03 | InChI=1S/C24H29ClN2O6/c25-23-18-14-17(26-33-16-21(30)27-11-7-5-8-12-27)10-6-3-1-2-4-9-13-32-24(31)22(18)19(28)15-20(23)29/h2,4,6,10,15,28-29H,1,3,5,7-9,11-14,16H2/b4-2+,10-6+,26-17- |
| InChIKey | InChI | 1.03 | XNRNAVTUUGISQH-VCKBHWIVSA-N |
