A1IEX
Summary
| Name: | [(2~{R})-1-[[(2~{S})-1-[(3,4-dichlorophenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid |
| Formula: | C17 H25 Cl2 N2 O5 P |
| Formal charge: | 0 |
| Formula weight: | 439.271 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R})-1-[[(2~{S})-1-[(3,4-dichlorophenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H25Cl2N2O5P/c1-9(2)7-14(27(24,25)26)16(22)21-15(10(3)4)17(23)20-11-5-6-12(18)13(19)8-11/h5-6,8-10,14-15H,7H2,1-4H3,(H,20,23)(H,21,22)(H2,24,25,26)/t14-,15+/m1/s1 |
| InChIKey | InChI | 1.06 | MGOFXJKMSWJECR-CABCVRRESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](C(=O)N[CH](C(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)Nc1ccc(c(c1)Cl)Cl)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)NC(C(C)C)C(=O)Nc1ccc(c(c1)Cl)Cl)P(=O)(O)O |
