| PDB CCD ID: | X09 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C8 H16 N2 O3 |
| InChI: | InChI=1S/C8H16N2O3/c9-3-4-7(12)8(13)6-5(11)1-2-10(4)6/h4-8,11-13H,1-3,9H2/t4-,5+,6-,7-,8-/m1/s1 |
| InChIKey: | RTYGUSZVNGAYPW-OZRXBMAMSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.352 | NC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H](O)CCN12 | | OpenEye OEToolkits 1.6.1 | C1CN2C(C(C(C2C1O)O)O)CN | | OpenEye OEToolkits 1.6.1 | C1C[N@]2[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)CN | | ACDLabs 10.04 | OC2C1N(C(C(O)C1O)CN)CC2 | | CACTVS 3.352 | NC[CH]1[CH](O)[CH](O)[CH]2[CH](O)CCN12 |
|
| Name: | AMINO-AUSTRALINE;
(1R,2R,3R,7S,7AR)-3-(AMINOMETHYL)HEXAHYDRO-1H-PYRROLIZINE-1,2,7-TRIOL |
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