| PDB CCD ID: | IKM |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C12 H14 N2 O6 |
| InChI: | InChI=1S/C12H14N2O6/c15-6(16)4-12-7(10(17)14-9(12)11(18)19)8-5(20-12)2-1-3-13-8/h1-2,5,7-9,13H,3-4H2,(H,14,17)(H,15,16)(H,18,19)/t5-,7+,8+,9-,12+/m0/s1 |
| InChIKey: | RVLCVCHOUKAPIG-WCPLEAOBSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | C1C=CC2C(N1)C3C(=O)NC(C3(O2)CC(=O)O)C(=O)O | | CACTVS 3.370 | OC(=O)C[C]12O[CH]3C=CCN[CH]3[CH]1C(=O)N[CH]2C(O)=O | | ACDLabs 12.01 | O=C(O)C3NC(=O)C2C3(OC1C=CCNC12)CC(=O)O | | OpenEye OEToolkits 1.7.6 | C1C=C[C@H]2[C@@H](N1)[C@@H]3C(=O)N[C@H]([C@@]3(O2)CC(=O)O)C(=O)O | | CACTVS 3.370 | OC(=O)C[C@@]12O[C@H]3C=CCN[C@H]3[C@@H]1C(=O)N[C@H]2C(O)=O |
|
| Name: | (4aS,5aR,6R,8aS,8bS)-5a-(carboxymethyl)-8-oxo-2,4a,5a,6,7,8,8a,8b-octahydro-1H-pyrrolo[3',4':4,5]furo[3,2-b]pyridine-6-carboxylic acid;
IKM-159 |
| ChEMBL: | CHEMBL2323526 |
| ZINC: | ZINC000095582577 |
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