| PDB CCD ID: | PRJ |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C9 H15 N O3 |
| InChI: | InChI=1S/C9H15NO3/c11-6-2-1-5-3-8(9(12)13)10-7(5)4-6/h5-8,10-11H,1-4H2,(H,12,13)/t5-,6+,7-,8-/m0/s1 |
| InChIKey: | LKYGWJKCHDDFLW-YWIQKCBGSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | O[CH]1CC[CH]2C[CH](N[CH]2C1)C(O)=O | | OpenEye OEToolkits 1.7.0 | C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C(=O)O)O | | CACTVS 3.370 | O[C@@H]1CC[C@H]2C[C@H](N[C@H]2C1)C(O)=O | | ACDLabs 12.01 | O=C(O)C1NC2CC(O)CCC2C1 | | OpenEye OEToolkits 1.7.0 | C1CC(CC2C1CC(N2)C(=O)O)O |
|
| Name: | (2S,3aS,6R,7aS)-6-hydroxyoctahydro-1H-indole-2-carboxylic acid |
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