CXB
Summary
| Name: | [(2-AMINO-ALPHA-METHOXYIMINO-4-THIAZOLYLACETYL)AMINO]METHYLBORONIC ACID |
| Formula: | C7 H11 B N4 O4 S |
| Formal charge: | 0 |
| Formula weight: | 258.063 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | ({[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}methyl)boronic acid |
| OpenEye OEToolkits | 1.5.0 | [[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]methylboronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C(=N\OC)/c1nc(sc1)N)NCB(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CO\N=C(/C(=O)NCB(O)O)c1csc(N)n1 |
| SMILES | CACTVS | 3.341 | CON=C(C(=O)NCB(O)O)c1csc(N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | B(CNC(=O)/C(=N\OC)/c1csc(n1)N)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | B(CNC(=O)C(=NOC)c1csc(n1)N)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H11BN4O4S/c1-16-12-5(4-2-17-7(9)11-4)6(13)10-3-8(14)15/h2,14-15H,3H2,1H3,(H2,9,11)(H,10,13)/b12-5- |
| InChIKey | InChI | 1.03 | FMYGJTQJYFMFCR-XGICHPGQSA-N |
