X09
Summary
| Name: | AMINO-AUSTRALINE |
| Synonyms: | (1R,2R,3R,7S,7AR)-3-(AMINOMETHYL)HEXAHYDRO-1H-PYRROLIZINE-1,2,7-TRIOL |
| Formula: | C8 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 188.224 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1R,2R,3R,7S,7aR)-3-(aminomethyl)hexahydro-1H-pyrrolizine-1,2,7-triol |
| OpenEye OEToolkits | 1.6.1 | (1R,2R,3R,4S,7S,8R)-3-(aminomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC2C1N(C(C(O)C1O)CN)CC2 |
| SMILES_CANONICAL | CACTVS | 3.352 | NC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H](O)CCN12 |
| SMILES | CACTVS | 3.352 | NC[CH]1[CH](O)[CH](O)[CH]2[CH](O)CCN12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C1C[N@]2[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)CN |
| SMILES | OpenEye OEToolkits | 1.6.1 | C1CN2C(C(C(C2C1O)O)O)CN |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | RTYGUSZVNGAYPW-OZRXBMAMSA-N |
