| PDB CCD ID: | PIR |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C11 H16 N2 O3 |
| InChI: | InChI=1S/C11H16N2O3/c12-7-3-1-6(2-4-7)9-11(16)10(15)8(5-14)13-9/h1-4,8-11,13-16H,5,12H2/t8-,9+,10-,11+/m1/s1 |
| InChIKey: | SQENVZNKXLCDLF-YTWAJWBKSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1cc(ccc1C2C(C(C(N2)CO)O)O)N | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N | | CACTVS 3.341 | Nc1ccc(cc1)[C@@H]2N[C@H](CO)[C@@H](O)[C@H]2O | | CACTVS 3.341 | Nc1ccc(cc1)[CH]2N[CH](CO)[CH](O)[CH]2O | | ACDLabs 10.04 | OC2C(c1ccc(N)cc1)NC(CO)C2O |
|
| Name: | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL |
| ZINC: | ZINC000005933433 |
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