1EC
Summary
| Name: | [(5R)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-) |
| Formula: | C9 H21 B N O6 |
| Formal charge: | -1 |
| Formula weight: | 250.077 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(5R)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-) |
| OpenEye OEToolkits | 1.7.6 | [(5R)-5-azanyl-5-carboxy-8-oxidanyl-octyl]-tris(oxidanyl)boranuide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)(CCCC[B-](O)(O)O)CCCO |
| InChI | InChI | 1.03 | InChI=1S/C9H21BNO6/c11-9(8(13)14,5-3-7-12)4-1-2-6-10(15,16)17/h12,15-17H,1-7,11H2,(H,13,14)/q-1/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | NLSMSWJRKXBPCL-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@](CCCO)(CCCC[B-](O)(O)O)C(O)=O |
| SMILES | CACTVS | 3.370 | N[C](CCCO)(CCCC[B-](O)(O)O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [B-](CCCC[C@@](CCCO)(C(=O)O)N)(O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | [B-](CCCCC(CCCO)(C(=O)O)N)(O)(O)O |
