| PDB CCD ID: | NNV |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C14 H14 N2 O4 |
| InChI: | InChI=1S/C14H14N2O4/c17-13(18)7-3-1-5-9-11(7)16-10-6-2-4-8(14(19)20)12(10)15-9/h1-2,5-8,11,16H,3-4H2,(H,17,18)(H,19,20)/t7-,8-,11+/m1/s1 |
| InChIKey: | FXTPBWZKMDQSSJ-XLDPMVHQSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | OC(=O)[CH]1CC=CC2=NC3=C(N[CH]12)C=CC[CH]3C(O)=O | | OpenEye OEToolkits 1.7.6 | C1C=CC2=NC3=C(C=CC[C@H]3C(=O)O)NC2[C@@H]1C(=O)O | | CACTVS 3.370 | OC(=O)[C@@H]1CC=CC2=NC3=C(N[C@@H]12)C=CC[C@H]3C(O)=O | | OpenEye OEToolkits 1.7.6 | C1C=CC2=NC3=C(C=CCC3C(=O)O)NC2C1C(=O)O | | ACDLabs 12.01 | O=C(O)C3C=2N=C1C=CCC(C(=O)O)C1NC=2C=CC3 |
|
| Name: | (1R,5aS,6R)-1,2,5,5a,6,7-hexahydrophenazine-1,6-dicarboxylic acid |
| ZINC: | ZINC000085589516 |
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