AGB
Summary
| Name: | N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA |
| Formula: | C19 H27 N5 O |
| Formal charge: | 0 |
| Formula weight: | 341.451 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-(4-carbamimidamidobenzyl)-3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]urea |
| OpenEye OEToolkits | 1.5.0 | 3-(1-adamantyl)-1-[(4-carbamimidamidophenyl)methyl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCc1ccc(NC(=[N@H])N)cc1)NC24CC3CC(CC(C2)C3)C4 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |
| SMILES | CACTVS | 3.341 | NC(=N)Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/N)\Nc1ccc(cc1)CNC(=O)NC23CC4CC(C2)CC(C4)C3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)Nc1ccc(cc1)CNC(=O)NC23CC4CC(C2)CC(C4)C3 |
| InChI | InChI | 1.03 | InChI=1S/C19H27N5O/c20-17(21)23-16-3-1-12(2-4-16)11-22-18(25)24-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-11H2,(H4,20,21,23)(H2,22,24,25)/t13-,14+,15-,19- |
| InChIKey | InChI | 1.03 | YQPLKJCBEOVDBS-CSVIQDERSA-N |
