GOO
(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol
Created: | 2008-07-25 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 5 |
Bond Count | 24 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol |
Systematic Name (OpenEye OEToolkits) | (1R,2R,3R,4S,5R)-4-amino-5-methoxy-cyclopentane-1,2,3-triol |
Formula | C6 H13 N O4 |
Molecular Weight | 163.172 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC1C(N)C(OC)C(O)C1O |
SMILES | CACTVS | 3.341 | CO[CH]1[CH](N)[CH](O)[CH](O)[CH]1O |
SMILES | OpenEye OEToolkits | 1.5.0 | COC1C(C(C(C1O)O)O)N |
Canonical SMILES | CACTVS | 3.341 | CO[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CO[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N |
InChI | InChI | 1.03 | InChI=1S/C6H13NO4/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1 |
InChIKey | InChI | 1.03 | NLCVJSNNNWJBCS-YDMGZANHSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 11636858 |
ChEMBL | CHEMBL427643 |