A1H8V
Summary
| Name: | [(~{R})-(2-hydroxyphenyl)-(4,5,6,7-tetrahydro-2-benzothiophen-1-ylcarbonylamino)methyl]phosphonic acid |
| Formula: | C16 H18 N O5 P S |
| Formal charge: | 0 |
| Formula weight: | 367.357 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(~{R})-(2-hydroxyphenyl)-(4,5,6,7-tetrahydro-2-benzothiophen-1-ylcarbonylamino)methyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H18NO5PS/c18-13-8-4-3-7-12(13)16(23(20,21)22)17-15(19)14-11-6-2-1-5-10(11)9-24-14/h3-4,7-9,16,18H,1-2,5-6H2,(H,17,19)(H2,20,21,22)/t16-/m1/s1 |
| InChIKey | InChI | 1.06 | GVRVEIKDVOURDB-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccccc1[C@H](NC(=O)c2scc3CCCCc23)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | Oc1ccccc1[CH](NC(=O)c2scc3CCCCc23)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)[C@H](NC(=O)c2c3c(cs2)CCCC3)P(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(NC(=O)c2c3c(cs2)CCCC3)P(=O)(O)O)O |
