2BH
Summary
| Name: | [(1E,5S)-5-AMINO-5-CARBOXYPENT-1-ENYL](TRIHYDROXY)BORATE(1-) |
| Synonyms: | DEHYDRO-2(S)-AMINO-6-BORONOHEXANOIC ACID |
| Formula: | C6 H13 B N O5 |
| Formal charge: | -1 |
| Formula weight: | 189.982 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(1E,5S)-5-amino-5-carboxypent-1-en-1-yl](trihydroxy)borate(1-) |
| OpenEye OEToolkits | 1.5.0 | [(E,5S)-5-amino-6-hydroxy-6-oxo-hex-1-enyl]-trihydroxy-boron |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CC/C=C/[B-](O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC\C=C\[B-](O)(O)O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCC=C[B-](O)(O)O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [B-](\C=C\CC[C@@H](C(=O)O)N)(O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | [B-](C=CCCC(C(=O)O)N)(O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H13BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h2,4-5,11-13H,1,3,8H2,(H,9,10)/q-1/b4-2+/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | CCCYGXMAMSUXAV-FYTLMZHYSA-N |
