OKJ
Summary
| Name: | (2S,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanal |
| Formula: | C10 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 195.215 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanal |
| OpenEye OEToolkits | 1.7.2 | (2S,3S)-3-azanyl-4-(4-hydroxyphenyl)-2-oxidanyl-butanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CC(O)C(N)Cc1ccc(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccc(O)cc1)[C@H](O)C=O |
| SMILES | CACTVS | 3.370 | N[CH](Cc1ccc(O)cc1)[CH](O)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1C[C@@H]([C@@H](C=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1CC(C(C=O)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO3/c11-9(10(14)6-12)5-7-1-3-8(13)4-2-7/h1-4,6,9-10,13-14H,5,11H2/t9-,10+/m0/s1 |
| InChIKey | InChI | 1.03 | NRVTUDHUXQCQSW-VHSXEESVSA-N |
