RH2
Summary
| Name: | N~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-L-lysinamide |
| Formula: | C16 H22 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 318.437 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-L-lysinamide |
| OpenEye OEToolkits | 1.9.2 | (2S)-6-azanyl-2-[(5-pyridin-3-ylthiophen-2-yl)methylamino]hexanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(NCc1sc(cc1)c2cccnc2)CCCCN)=O |
| InChI | InChI | 1.03 | InChI=1S/C16H22N4OS/c17-8-2-1-5-14(16(18)21)20-11-13-6-7-15(22-13)12-4-3-9-19-10-12/h3-4,6-7,9-10,14,20H,1-2,5,8,11,17H2,(H2,18,21)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | KBSBPTGVGQZWKP-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCC[C@H](NCc1sc(cc1)c2cccnc2)C(N)=O |
| SMILES | CACTVS | 3.385 | NCCCC[CH](NCc1sc(cc1)c2cccnc2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)c2ccc(s2)CN[C@@H](CCCCN)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)c2ccc(s2)CNC(CCCCN)C(=O)N |
