OKP
Summary
| Name: | {5-[(3-aminopropyl)amino]pentyl}boronic acid |
| Formula: | C8 H21 B N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 188.076 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {5-[(3-aminopropyl)amino]pentyl}boronic acid |
| OpenEye OEToolkits | 2.0.7 | 5-(3-azanylpropylamino)pentylboronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(B(O)O)CCCCNCCCN |
| InChI | InChI | 1.03 | InChI=1S/C8H21BN2O2/c10-6-4-8-11-7-3-1-2-5-9(12)13/h11-13H,1-8,10H2 |
| InChIKey | InChI | 1.03 | WPADTVBHZOIAHR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCNCCCCCB(O)O |
| SMILES | CACTVS | 3.385 | NCCCNCCCCCB(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(CCCCCNCCCN)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(CCCCCNCCCN)(O)O |
