| PDB CCD ID: | W81 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C9 H13 N O3 |
| InChI: | InChI=1S/C9H13NO3/c1-2-13-7-5-3-4-6(8(7)10)9(11)12/h3-5,7-8H,2,10H2,1H3,(H,11,12)/t7-,8-/m1/s1 |
| InChIKey: | UOFNVIJXMFQHDJ-HTQZYQBOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | CCOC1C=CC=C(C1[NH3+])C(=O)[O-] | | CACTVS 3.385 | CCO[CH]1C=CC=C([CH]1[NH3+])C([O-])=O | | CACTVS 3.385 | CCO[C@@H]1C=CC=C([C@H]1[NH3+])C([O-])=O | | OpenEye OEToolkits 1.7.6 | CCO[C@@H]1C=CC=C([C@H]1[NH3+])C(=O)[O-] | | ACDLabs 12.01 | C(OC1C=CC=C(C(=O)[O-])C1[NH3+])C |
|
| Name: | (5R,6R)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate |
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