92B
Summary
| Name: | (3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid |
| Formula: | C12 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 236.267 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2O3/c15-11-10-7(5-6-13-10)1-2-8-3-4-9(12(16)17)14(8)11/h1-2,7-10,13H,3-6H2,(H,16,17)/t7-,8-,9-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | XEXQDYRISOKILW-XKNYDFJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CC[C@@H]2C=C[C@H]3CCN[C@@H]3C(=O)N12 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CC[CH]2C=C[CH]3CCN[CH]3C(=O)N12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1C[C@H](N2[C@H]1C=C[C@H]3CCN[C@@H]3C2=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CC(N2C1C=CC3CCNC3C2=O)C(=O)O |
