TYW
Summary
| Name: | (2S)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol |
| Formula: | C9 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 183.204 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol |
| OpenEye OEToolkits | 1.7.2 | (2S)-2-azanyl-3-(4-hydroxyphenyl)propane-1,1-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1ccc(cc1)CC(N)C(O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H13NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8-9,11-13H,5,10H2/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | APPGMLFFWAMCJO-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccc(O)cc1)C(O)O |
| SMILES | CACTVS | 3.370 | N[CH](Cc1ccc(O)cc1)C(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1C[C@@H](C(O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1CC(C(O)O)N)O |
