2B8
Summary
| Name: | (5R)-5-(3-aminopropyl)-1-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-5-carboxylic acid |
| Formula: | C14 H23 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 265.351 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5R)-5-(3-aminopropyl)-1-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-5-carboxylic acid |
| OpenEye OEToolkits | 1.9.2 | (5R)-5-(3-azanylpropyl)-1-propyl-6,7-dihydro-4H-benzimidazole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C2(CCc1c(ncn1CCC)C2)CCCN |
| InChI | InChI | 1.03 | InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | DPDWQELEXVLQSO-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCn1cnc2C[C](CCCN)(CCc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCn1cnc2c1CC[C@@](C2)(CCCN)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCn1cnc2c1CCC(C2)(CCCN)C(=O)O |
