L6K
Summary
| Name: | (2~{S})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid |
| Formula: | C16 H20 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 304.341 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H20N2O4/c1-18-15(16(19)20)7-11-2-4-13(5-3-11)21-9-12-6-14(8-17)22-10-12/h2-6,10,15,18H,7-9,17H2,1H3,(H,19,20)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | QGZKJFPEUIZHQR-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H](Cc1ccc(OCc2coc(CN)c2)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CN[CH](Cc1ccc(OCc2coc(CN)c2)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN[C@@H](Cc1ccc(cc1)OCc2cc(oc2)CN)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(Cc1ccc(cc1)OCc2cc(oc2)CN)C(=O)O |
