A1IKA
Summary
| Name: | [(S)-(1-benzothiophen-2-ylcarbonylamino)-(2-hydroxyphenyl)methyl]phosphonic acid |
| Synonyms: | ((Benzo[b]thiophene-2-carboxamido)(2-hydroxyphenyl)methyl)phosphonic acid |
| Formula: | C16 H14 N O5 P S |
| Formal charge: | 0 |
| Formula weight: | 363.325 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(~{S})-(1-benzothiophen-2-ylcarbonylamino)-(2-hydroxyphenyl)methyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H14NO5PS/c18-12-7-3-2-6-11(12)16(23(20,21)22)17-15(19)14-9-10-5-1-4-8-13(10)24-14/h1-9,16,18H,(H,17,19)(H2,20,21,22)/t16-/m0/s1 |
| InChIKey | InChI | 1.06 | SRTGADYCBXYINQ-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccccc1[C@@H](NC(=O)c2sc3ccccc3c2)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | Oc1ccccc1[CH](NC(=O)c2sc3ccccc3c2)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cc(s2)C(=O)N[C@H](c3ccccc3O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cc(s2)C(=O)NC(c3ccccc3O)P(=O)(O)O |
