| PDB CCD ID: | 2L9 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C12 H14 N2 O3 |
| InChI: | InChI=1S/C12H14N2O3/c15-11-10-7(5-6-13-10)1-2-8-3-4-9(12(16)17)14(8)11/h1-4,7-10,13H,5-6H2,(H,16,17)/t7-,8-,9-,10-/m0/s1 |
| InChIKey: | RHEQTEWEWCAEQP-XKNYDFJKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(=O)[CH]1C=C[CH]2C=C[CH]3CCN[CH]3C(=O)N12 | | OpenEye OEToolkits 1.7.6 | C1CNC2C1C=CC3C=CC(N3C2=O)C(=O)O | | CACTVS 3.385 | OC(=O)[C@@H]1C=C[C@@H]2C=C[C@H]3CCN[C@@H]3C(=O)N12 | | OpenEye OEToolkits 1.7.6 | C1CN[C@H]2[C@H]1C=C[C@H]3C=C[C@H](N3C2=O)C(=O)O | | ACDLabs 12.01 | O=C(O)C2C=CC1C=CC3C(C(=O)N12)NCC3 |
|
| Name: | (3aR,5aS,8S,10aS)-10-oxo-1,2,3,3a,5a,8,10,10a-octahydrodipyrrolo[1,2-a:3',2'-e]azepine-8-carboxylic acid |
| ZINC: | ZINC000263620967 |
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