5AB
Summary
| Name: | [(5S)-5-amino-5-carboxyhexyl](trihydroxy)borate |
| Formula: | C7 H17 B N O5 |
| Formal charge: | -1 |
| Formula weight: | 206.025 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(5S)-5-amino-5-carboxyhexyl](trihydroxy)borate(1-) |
| OpenEye OEToolkits | 1.7.2 | [(5S)-5-azanyl-5-methyl-6-oxidanyl-6-oxidanylidene-hexyl]-tris(oxidanyl)boranuide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)(CCCC[B-](O)(O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C7H17BNO5/c1-7(9,6(10)11)4-2-3-5-8(12,13)14/h12-14H,2-5,9H2,1H3,(H,10,11)/q-1/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | QCQHNLBDTJIODE-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@](N)(CCCC[B-](O)(O)O)C(O)=O |
| SMILES | CACTVS | 3.370 | C[C](N)(CCCC[B-](O)(O)O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | [B-](CCCC[C@@](C)(C(=O)O)N)(O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | [B-](CCCCC(C)(C(=O)O)N)(O)(O)O |
