0A2
Summary
| Name: | [(1R)-1,5-diaminopentyl][bis(ethanolato)]hydroxyborate(1-) |
| Formula: | C9 H24 B N2 O3 |
| Formal charge: | -1 |
| Formula weight: | 219.109 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(1R)-1,5-diaminopentyl][bis(ethanolato)]hydroxyborate(1-) |
| OpenEye OEToolkits | 1.5.0 | [(1R)-1,5-diaminopentyl]-diethoxy-hydroxy-boron |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O[B-](OCC)(OCC)C(N)CCCCN |
| SMILES_CANONICAL | CACTVS | 3.341 | CCO[B-](O)(OCC)[C@@H](N)CCCCN |
| SMILES | CACTVS | 3.341 | CCO[B-](O)(OCC)[CH](N)CCCCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [B-]([C@H](CCCCN)N)(O)(OCC)OCC |
| SMILES | OpenEye OEToolkits | 1.5.0 | [B-](C(CCCCN)N)(O)(OCC)OCC |
| InChI | InChI | 1.03 | InChI=1S/C9H24BN2O3/c1-3-14-10(13,15-4-2)9(12)7-5-6-8-11/h9,13H,3-8,11-12H2,1-2H3/q-1/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | PXBXSVLNVFCWMU-VIFPVBQESA-N |
