13C
Summary
| Name: | (5E)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-2-BENZAZACYCLOTETRADECINE-1,11(2H,12H)-DIONE |
| Formula: | C17 H20 Cl N O4 |
| Formal charge: | 0 |
| Formula weight: | 337.798 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 15-chloro-16,18-dihydroxy-3-azabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | Oc1cc(O)c2C(=O)NCC/C=C/CCCCC(=O)Cc2c1Cl |
| SMILES | CACTVS | 3.352 | Oc1cc(O)c2C(=O)NCCC=CCCCCC(=O)Cc2c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1c(c2c(c(c1O)Cl)CC(=O)CCCCC=CCCNC2=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1c(c2c(c(c1O)Cl)CC(=O)CCCCC=CCCNC2=O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H20ClNO4/c18-16-12-9-11(20)7-5-3-1-2-4-6-8-19-17(23)15(12)13(21)10-14(16)22/h2,4,10,21-22H,1,3,5-9H2,(H,19,23)/b4-2+ |
| InChIKey | InChI | 1.03 | VRMUAANRIKUQHN-DUXPYHPUSA-N |
