J8Z
Summary
| Name: | (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate |
| Formula: | C19 H18 N O5 P S |
| Formal charge: | -2 |
| Formula weight: | 403.389 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate |
| OpenEye OEToolkits | 1.6.1 | [(2R)-2-(1-benzothiophen-2-ylcarbonylamino)-3-(3-methylphenyl)propyl] phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | [O-]P([O-])(=O)OCC(NC(=O)c2sc1ccccc1c2)Cc3cccc(c3)C |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1cccc(C[C@H](CO[P]([O-])([O-])=O)NC(=O)c2sc3ccccc3c2)c1 |
| SMILES | CACTVS | 3.352 | Cc1cccc(C[CH](CO[P]([O-])([O-])=O)NC(=O)c2sc3ccccc3c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cccc(c1)C[C@H](COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cccc(c1)CC(COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2 |
| InChI | InChI | 1.03 | InChI=1S/C19H20NO5PS/c1-13-5-4-6-14(9-13)10-16(12-25-26(22,23)24)20-19(21)18-11-15-7-2-3-8-17(15)27-18/h2-9,11,16H,10,12H2,1H3,(H,20,21)(H2,22,23,24)/p-2/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | VJUQXEZAYUVHJF-MRXNPFEDSA-L |
