GJ6
Summary
| Name: | (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol |
| Formula: | C13 H19 N O3 |
| Formal charge: | 0 |
| Formula weight: | 237.295 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{R},6~{R})-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H19NO3/c1-7(2)14-10-5-3-9-8(12(10)16)4-6-11(15)13(9)17/h4,6-7,10,12,14-17H,3,5H2,1-2H3/t10-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | VYPNBBZHLGJXPR-ZYHUDNBSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O |
| SMILES | CACTVS | 3.385 | CC(C)N[CH]1CCc2c(O)c(O)ccc2[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)N[C@@H]1CCc2c(ccc(c2O)O)[C@H]1O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)NC1CCc2c(ccc(c2O)O)C1O |
