BRH
Summary
| Name: | (S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID |
| Synonyms: | BR-HIBO |
| Formula: | C6 H7 Br N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 251.035 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(4-bromo-3-hydroxyisoxazol-5-yl)alanine |
| OpenEye OEToolkits | 1.5.0 | 2-amino-3-(4-bromo-3-hydroxy-1,2-oxazol-5-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc1c(onc1O)CC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(Cc1onc(O)c1Br)C(O)=O |
| SMILES | CACTVS | 3.341 | NC(Cc1onc(O)c1Br)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(c1c(c(no1)O)Br)C(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(c1c(c(no1)O)Br)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H7BrN2O4/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12) |
| InChIKey | InChI | 1.03 | JRTOQOAGTSUNHA-UHFFFAOYSA-N |
