A1EUC
Summary
| Name: | [(2~{R})-2-azanyl-4-[2-chloranyl-4-(3-hydroxyphenyl)sulfanyl-phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate |
| Formula: | C17 H21 Cl N O6 P S |
| Formal charge: | 0 |
| Formula weight: | 433.844 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R})-2-azanyl-4-[2-chloranyl-4-(3-hydroxyphenyl)sulfanyl-phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H21ClNO6PS/c18-16-9-15(27-14-3-1-2-13(21)8-14)5-4-12(16)6-7-17(19,10-20)11-25-26(22,23)24/h1-5,8-9,20-21H,6-7,10-11,19H2,(H2,22,23,24)/t17-/m1/s1 |
| InChIKey | InChI | 1.06 | YKFYJMGZQBDOPG-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@](CO)(CCc1ccc(Sc2cccc(O)c2)cc1Cl)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | N[C](CO)(CCc1ccc(Sc2cccc(O)c2)cc1Cl)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Sc2ccc(c(c2)Cl)CC[C@@](CO)(COP(=O)(O)O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Sc2ccc(c(c2)Cl)CCC(CO)(COP(=O)(O)O)N)O |
