ABH
Summary
| Name: | 2(S)-AMINO-6-BORONOHEXANOIC ACID |
| Formula: | C6 H15 B N O5 |
| Formal charge: | -1 |
| Formula weight: | 191.998 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(5S)-5-amino-5-carboxypentyl](trihydroxy)borate(1-) |
| OpenEye OEToolkits | 1.5.0 | [(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trihydroxy-boron |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCCC[B-](O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCCC[B-](O)(O)O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCCC[B-](O)(O)O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [B-](CCCC[C@@H](C(=O)O)N)(O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | [B-](CCCCC(C(=O)O)N)(O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H15BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h5,11-13H,1-4,8H2,(H,9,10)/q-1/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | BLVGFZFOWWBCCZ-YFKPBYRVSA-N |
