6VF
Summary
| Name: | (2~{R},3~{S})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol |
| Formula: | C10 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 197.231 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (2~{R},3~{S})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H15NO3/c11-9(10(14)6-12)5-7-1-3-8(13)4-2-7/h1-4,9-10,12-14H,5-6,11H2/t9-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | QZVJNWITXFDEFK-UWVGGRQHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccc(O)cc1)[C@@H](O)CO |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccc(O)cc1)[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(ccc1C[C@@H]([C@H](CO)O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(ccc1CC(C(CO)O)N)O |
