SM3
Summary
| Name: | (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID |
| Formula: | C13 H14 B N O3 S |
| Formal charge: | 0 |
| Formula weight: | 275.131 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {(R)-phenyl[(thiophen-2-ylacetyl)amino]methyl}boronic acid |
| OpenEye OEToolkits | 1.5.0 | [(R)-phenyl-(2-thiophen-2-ylethanoylamino)methyl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(B(O)O)c1ccccc1)Cc2sccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OB(O)[C@@H](NC(=O)Cc1sccc1)c2ccccc2 |
| SMILES | CACTVS | 3.341 | OB(O)[CH](NC(=O)Cc1sccc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | B([C@H](c1ccccc1)NC(=O)Cc2cccs2)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | B(C(c1ccccc1)NC(=O)Cc2cccs2)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H14BNO3S/c16-12(9-11-7-4-8-19-11)15-13(14(17)18)10-5-2-1-3-6-10/h1-8,13,17-18H,9H2,(H,15,16)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | LGJCDEZMANATFA-ZDUSSCGKSA-N |
