XU7
Summary
| Name: | (2S)-2-amino-4-boronobutanoic acid |
| Formula: | C4 H10 B N O4 |
| Formal charge: | 0 |
| Formula weight: | 146.937 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-4-boronobutanoic acid |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-4-(dihydroxyboranyl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | B(O)(CCC(C(O)=O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C4H10BNO4/c6-3(4(7)8)1-2-5(9)10/h3,9-10H,1-2,6H2,(H,7,8)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | KSYFGBKMRXVJSG-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCB(O)O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCB(O)O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(CCC(C(=O)O)N)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(CCC(C(=O)O)N)(O)O |
