L9Z
Summary
| Name: | (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid |
| Formula: | C8 H15 N O5 |
| Formal charge: | 0 |
| Formula weight: | 205.208 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO5/c9-3-8(14)2-4(7(12)13)1-5(10)6(8)11/h4-6,10-11,14H,1-3,9H2,(H,12,13)/t4-,5+,6-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | YNLZKDMNCIPLRS-GCJQMDKQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@@]1(O)C[C@H](C[C@@H](O)[C@@H]1O)C(O)=O |
| SMILES | CACTVS | 3.385 | NC[C]1(O)C[CH](C[CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H](C[C@@]([C@H]([C@@H]1O)O)(CN)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(CC(C(C1O)O)(CN)O)C(=O)O |
