XPN
Summary
| Name: | Baeocystin |
| Synonyms: | [3-[2-(methylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate |
| Formula: | C11 H15 N2 O4 P |
| Formal charge: | 0 |
| Formula weight: | 270.222 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [3-[2-(methylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H15N2O4P/c1-12-6-5-8-7-13-9-3-2-4-10(11(8)9)17-18(14,15)16/h2-4,7,12-13H,5-6H2,1H3,(H2,14,15,16) |
| InChIKey | InChI | 1.06 | WTPBXXCVZZZXKR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCCc1c[nH]c2cccc(O[P](O)(O)=O)c12 |
| SMILES | CACTVS | 3.385 | CNCCc1c[nH]c2cccc(O[P](O)(O)=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNCCc1c[nH]c2c1c(ccc2)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNCCc1c[nH]c2c1c(ccc2)OP(=O)(O)O |
