Summary
| Name: | 2-AMINO-3-PHENYL-PROPANE-1,1-DIOL GROUP |
| Formula: | C9 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 167.205 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-3-phenylpropane-1,1-diol |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-phenyl-propane-1,1-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC(O)C(N)Cc1ccccc1 |
| InChI | InChI | 1.02b | InChI=1/C9H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-/m0/s1 |
| InChIKey | InChI | 1.02b | IFTWVTAUEXLCHB-QMMMGPOBBQ |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1ccccc1)C(O)O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1ccccc1)C(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C[C@@H](C(O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(C(O)O)N |
