0M8
[2-(heptylamino)ethane-1,1-diyl]bis(phosphonic acid)
Created: | 2012-02-28 |
Last modified: | 2013-01-11 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 41 |
Chiral Atom Count | 0 |
Bond Count | 40 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | [2-(heptylamino)ethane-1,1-diyl]bis(phosphonic acid) |
Systematic Name (OpenEye OEToolkits) | [2-(heptylamino)-1-phosphono-ethyl]phosphonic acid |
Formula | C9 H23 N O6 P2 |
Molecular Weight | 303.23 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)C(CNCCCCCCC)P(=O)(O)O |
SMILES | CACTVS | 3.370 | CCCCCCCNCC([P](O)(O)=O)[P](O)(O)=O |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCNCC(P(=O)(O)O)P(=O)(O)O |
Canonical SMILES | CACTVS | 3.370 | CCCCCCCNCC([P](O)(O)=O)[P](O)(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCNCC(P(=O)(O)O)P(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C9H23NO6P2/c1-2-3-4-5-6-7-10-8-9(17(11,12)13)18(14,15)16/h9-10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16) |
InChIKey | InChI | 1.03 | WRMHTOUCTOHPIY-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 13211563 |
ChEMBL | CHEMBL261473 |