3D2
Summary
| Name: | N~2~-[3-(pyridin-3-yl)benzyl]-L-lysinamide |
| Formula: | C18 H24 N4 O |
| Formal charge: | 0 |
| Formula weight: | 312.409 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-[3-(pyridin-3-yl)benzyl]-L-lysinamide |
| OpenEye OEToolkits | 1.9.2 | (2S)-6-azanyl-2-[(3-pyridin-3-ylphenyl)methylamino]hexanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)C(NCc2cc(c1cccnc1)ccc2)CCCCN |
| InChI | InChI | 1.03 | InChI=1S/C18H24N4O/c19-9-2-1-8-17(18(20)23)22-12-14-5-3-6-15(11-14)16-7-4-10-21-13-16/h3-7,10-11,13,17,22H,1-2,8-9,12,19H2,(H2,20,23)/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | HSVQHUWOLRPWEF-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCC[C@H](NCc1cccc(c1)c2cccnc2)C(N)=O |
| SMILES | CACTVS | 3.385 | NCCCC[CH](NCc1cccc(c1)c2cccnc2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)c2cccnc2)CN[C@@H](CCCCN)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)c2cccnc2)CNC(CCCCN)C(=O)N |
