JQ0
Summary
| Name: | methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoate |
| Formula: | C15 H24 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 280.363 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H24N2O3/c1-10(2)8-12-5-4-11-6-7-16-14(11)15(19)17(12)9-13(18)20-3/h4-5,10-12,14,16H,6-9H2,1-3H3/t11-,12-,14-/m0/s1 |
| InChIKey | InChI | 1.06 | KCQUGXKVGPVKPA-OBJOEFQTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CN1[C@H](CC(C)C)C=C[C@H]2CCN[C@@H]2C1=O |
| SMILES | CACTVS | 3.385 | COC(=O)CN1[CH](CC(C)C)C=C[CH]2CCN[CH]2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@@H]1C=C[C@H]2CCN[C@@H]2C(=O)N1CC(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC1C=CC2CCNC2C(=O)N1CC(=O)OC |
