RDO
Summary
| Name: | ethyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate |
| Synonyms: | (2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA
N-3,4-DIOL NEOMYCIN A; NEAMINE; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucoside; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-D-glucoside; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-glucoside |
| Formula: | C15 H16 F3 N O3 |
| Formal charge: | 0 |
| Formula weight: | 315.288 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | ethyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H16F3NO3/c1-2-22-14(21)7-6-13(20)19-9-8-10-11(15(16,17)18)4-3-5-12(10)19/h3-5H,2,6-9H2,1H3 |
| InChIKey | InChI | 1.06 | ZUBJCDWADSBMLA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F |
| SMILES | CACTVS | 3.385 | CCOC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCOC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCOC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F |
