LH6
Summary
| Name: | (2~{S})-2-(methylamino)-3-[4-[(1~{E})-3-methylbuta-1,3-dienyl]-1~{H}-indol-3-yl]propanoic acid |
| Formula: | C17 H20 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 284.353 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(methylamino)-3-[4-[(1~{E})-3-methylbuta-1,3-dienyl]-1~{H}-indol-3-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H20N2O2/c1-11(2)7-8-12-5-4-6-14-16(12)13(10-19-14)9-15(18-3)17(20)21/h4-8,10,15,18-19H,1,9H2,2-3H3,(H,20,21)/b8-7+/t15-/m0/s1 |
| InChIKey | InChI | 1.06 | SSFGPAKLEHOKFT-KIUWMYQTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H](Cc1c[nH]c2cccc(/C=C/C(C)=C)c12)C(O)=O |
| SMILES | CACTVS | 3.385 | CN[CH](Cc1c[nH]c2cccc(C=CC(C)=C)c12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=C)/C=C/c1cccc2c1c(c[nH]2)C[C@@H](C(=O)O)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=C)C=Cc1cccc2c1c(c[nH]2)CC(C(=O)O)NC |
