1D2
CYCLODODECYL 3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSIDE
Created: | 2009-05-08 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 63 |
Chiral Atom Count | 4 |
Bond Count | 64 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | CYCLODODECYL 3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSIDE |
Systematic Name (OpenEye OEToolkits) | (2S,3R,4S,6R)-2-cyclododecyloxy-4-dimethylamino-6-methyl-oxan-3-ol |
Formula | C20 H39 N O3 |
Molecular Weight | 341.529 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(C1CCCCCCCCCCC1)C2OC(CC(N(C)C)C2O)C |
SMILES | CACTVS | 3.352 | C[CH]1C[CH]([CH](O)[CH](O1)OC2CCCCCCCCCCC2)N(C)C |
SMILES | OpenEye OEToolkits | 1.6.1 | CC1CC(C(C(O1)OC2CCCCCCCCCCC2)O)N(C)C |
Canonical SMILES | CACTVS | 3.352 | C[C@@H]1C[C@@H]([C@@H](O)[C@@H](O1)OC2CCCCCCCCCCC2)N(C)C |
Canonical SMILES | OpenEye OEToolkits | 1.6.1 | C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCC2)O)N(C)C |
InChI | InChI | 1.03 | InChI=1S/C20H39NO3/c1-16-15-18(21(2)3)19(22)20(23-16)24-17-13-11-9-7-5-4-6-8-10-12-14-17/h16-20,22H,4-15H2,1-3H3/t16-,18+,19-,20+/m1/s1 |
InChIKey | InChI | 1.03 | KZKWNNFETLOBHX-MDNKFWRPSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 44241490 |