3C6
Summary
| Name: | N~2~-[4-(pyridin-3-yl)benzoyl]-L-lysinamide |
| Formula: | C18 H22 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 326.393 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-[4-(pyridin-3-yl)benzoyl]-L-lysinamide |
| OpenEye OEToolkits | 1.9.2 | N-[(2S)-1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]-4-pyridin-3-yl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)C(NC(=O)c2ccc(c1cccnc1)cc2)CCCCN |
| InChI | InChI | 1.03 | InChI=1S/C18H22N4O2/c19-10-2-1-5-16(17(20)23)22-18(24)14-8-6-13(7-9-14)15-4-3-11-21-12-15/h3-4,6-9,11-12,16H,1-2,5,10,19H2,(H2,20,23)(H,22,24)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | VJTHQFAZPHZKKW-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCC[C@H](NC(=O)c1ccc(cc1)c2cccnc2)C(N)=O |
| SMILES | CACTVS | 3.385 | NCCCC[CH](NC(=O)c1ccc(cc1)c2cccnc2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)c2ccc(cc2)C(=O)N[C@@H](CCCCN)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)c2ccc(cc2)C(=O)NC(CCCCN)C(=O)N |
