ZHT
Summary
| Name: | 6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-[3-(dimethylamino)propyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid |
| Formula: | C25 H36 N6 O4 |
| Formal charge: | 0 |
| Formula weight: | 484.591 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-[3-(dimethylamino)propyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H36N6O4/c1-28(2)10-5-11-29-12-14-30(18-20-6-3-8-22(26-20)24(32)33)16-17-31(15-13-29)19-21-7-4-9-23(27-21)25(34)35/h3-4,6-9H,5,10-19H2,1-2H3,(H,32,33)(H,34,35) |
| InChIKey | InChI | 1.06 | PCYMPEWCWVVCFC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCCN1CCN(CCN(CC1)Cc2cccc(n2)C(O)=O)Cc3cccc(n3)C(O)=O |
| SMILES | CACTVS | 3.385 | CN(C)CCCN1CCN(CCN(CC1)Cc2cccc(n2)C(O)=O)Cc3cccc(n3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCCN1CCN(CCN(CC1)Cc2cccc(n2)C(=O)O)Cc3cccc(n3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCCN1CCN(CCN(CC1)Cc2cccc(n2)C(=O)O)Cc3cccc(n3)C(=O)O |
