A1IEX
[(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
| Created: | 2024-06-17 |
| Last modified: | 2025-06-25 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 52 |
| Chiral Atom Count | 2 |
| Bond Count | 52 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| 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 |
| Systematic Name (OpenEye OEToolkits) | [(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 |
| Molecular Weight | 439.271 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| 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 | 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 |
| Canonical SMILES | 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 |
| Canonical SMILES | 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 |
| 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 |
