L0X
Summary
| Name: | N-(5-carbamimidamidopentyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide |
| Formula: | C22 H37 N5 O |
| Formal charge: | 0 |
| Formula weight: | 387.562 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(5-carbamimidamidopentyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(5-carbamimidamidopentyl)-~{N}-[1-(2-phenylethyl)piperidin-4-yl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCC(=O)N(CCCCCNC(=N)N)C1CCN(CCc2ccccc2)CC1 |
| InChI | InChI | 1.03 | InChI=1S/C22H37N5O/c1-2-21(28)27(15-8-4-7-14-25-22(23)24)20-12-17-26(18-13-20)16-11-19-9-5-3-6-10-19/h3,5-6,9-10,20H,2,4,7-8,11-18H2,1H3,(H4,23,24,25) |
| InChIKey | InChI | 1.03 | GYNGGXVVNBPKPG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N(CCCCCNC(N)=N)C1CCN(CC1)CCc2ccccc2 |
| SMILES | CACTVS | 3.385 | CCC(=O)N(CCCCCNC(N)=N)C1CCN(CC1)CCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/N)\NCCCCCN(C1CCN(CC1)CCc2ccccc2)C(=O)CC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(CCCCCNC(=N)N)C1CCN(CC1)CCc2ccccc2 |
