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PDBeChem : Molecule Descriptors
Molecule : 82T
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C23H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h22,25H,2-21,24H2,1H3,(H,27,28)/t22-/m1/s1 |
2 |
InChIKey
|
InChI |
1.03 |
BBYWOYAFBUOUFP-JOCHJYFZSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
CCCCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCCN |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P](O)(=O)OCCN |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O |
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