L0S
methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate
Created: | 2019-01-30 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 32 |
Chiral Atom Count | 1 |
Bond Count | 31 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate |
Synonyms | A-232 |
Systematic Name (OpenEye OEToolkits) | ~{N},~{N}-diethyl-~{N}'-[methoxy(methyl)phosphoryl]ethanimidamide |
Formula | C8 H19 N2 O2 P |
Molecular Weight | 206.222 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COP(/N=C(/N(CC)CC)C)(=O)C |
SMILES | CACTVS | 3.385 | CCN(CC)C(C)=N[P](C)(=O)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)C(=NP(=O)(C)OC)C |
Canonical SMILES | CACTVS | 3.385 | CCN(CC)C(C)=N[P@](C)(=O)OC |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)/C(=N/[P@@](=O)(C)OC)/C |
InChI | InChI | 1.03 | InChI=1S/C8H19N2O2P/c1-6-10(7-2)8(3)9-13(5,11)12-4/h6-7H2,1-5H3/b9-8+/t13-/m1/s1 |
InChIKey | InChI | 1.03 | YYUQHVXOVGFZEM-MMQHEFTJSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 146672926 |