TA2
Summary
| Name: | (2R,3S)-3-AMINO-3-PHENYLPROPANE-1,2-DIOL |
| Formula: | C9 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 181.189 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,3S)-3-amino-3-phenylpropane-1,2-diol |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S})-3-azanyl-2-oxidanyl-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCC(O)C(N)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H11NO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1 |
| InChIKey | InChI | 1.06 | RZARFIRJROUVLM-JGVFFNPUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]([C@@H](O)C(O)=O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | N[CH]([CH](O)C(O)=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@@H]([C@H](C(=O)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(C(C(=O)O)O)N |
