| PDB CCD ID: | JWB |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H13 N O4 |
| InChI: | InChI=1S/C11H13NO4/c13-7(14)4-12-10(15)8-5-1-2-6(3-5)9(8)11(12)16/h5-6,8-9H,1-4H2,(H,13,14)/t5-,6+,8-,9+ |
| InChIKey: | VYOORNQXSKWLPQ-RNMOGIQJSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O | | OpenEye OEToolkits 2.0.7 | C1CC2CC1C3C2C(=O)N(C3=O)CC(=O)O | | CACTVS 3.385 | OC(=O)CN1C(=O)[CH]2[CH]3CC[CH](C3)[CH]2C1=O | | OpenEye OEToolkits 2.0.7 | C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)CC(=O)O |
|
| Name: | 2-[(1~{R},2~{R},6~{S},7~{S})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]ethanoic acid |
| ChEMBL: | CHEMBL4584014 |
| ZINC: | ZINC000002573368 |
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