BHU
Summary
| Name: | [[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid |
| Synonyms: | (S)-((3-mercapto-2-methylpropanamido)methyl)boronic acid |
| Formula: | C5 H12 B N O3 S |
| Formal charge: | 0 |
| Formula weight: | 177.03 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H12BNO3S/c1-4(2-11)5(8)7-3-6(9)10/h4,9-11H,2-3H2,1H3,(H,7,8)/t4-/m1/s1 |
| InChIKey | InChI | 1.03 | HXSZVYICUWXMQS-SCSAIBSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CS)C(=O)NCB(O)O |
| SMILES | CACTVS | 3.385 | C[CH](CS)C(=O)NCB(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B(CNC(=O)[C@H](C)CS)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | B(CNC(=O)C(C)CS)(O)O |
