9VD
Summary
| Name: | (2S,3S)-2-amino-3-hydroxybutanal |
| Formula: | C4 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 103.12 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3S)-2-amino-3-hydroxybutanal |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-3-oxidanyl-butanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)C(C(O)C)N |
| InChI | InChI | 1.03 | InChI=1S/C4H9NO2/c1-3(7)4(5)2-6/h2-4,7H,5H2,1H3/t3-,4+/m0/s1 |
| InChIKey | InChI | 1.03 | ORDNBIQZKXYGTM-IUYQGCFVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)[C@H](N)C=O |
| SMILES | CACTVS | 3.385 | C[CH](O)[CH](N)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC([C@@H](C=O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(C=O)N)O |
