| PDB CCD ID: | IAA |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C18 H13 N3 O4 |
| InChI: | InChI=1S/C18H13N3O4/c22-14(23)9-25-21-16-11-6-2-4-8-13(11)19-17(16)15-10-5-1-3-7-12(10)20-18(15)24/h1-6H,7-9H2,(H,22,23)/b17-15-,21-16+ |
| InChIKey: | BFQRPTKOSYMPOL-LALPNIDTSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | OC(=O)CO\N=C\1C2=CC=CCC2=NC\1=C3\C(=O)N=C4CC=CC=C34 | | OpenEye OEToolkits 1.5.0 | C1C=CC=C2C1=NC(=C3C4=CC=CCC4=NC3=O)C2=NOCC(=O)O | | OpenEye OEToolkits 1.5.0 | C1C=CC=C\2C1=N/C(=C\3/C4=CC=CCC4=NC3=O)/C2=N/OCC(=O)O | | CACTVS 3.341 | OC(=O)CON=C1C2=CC=CCC2=NC1=C3C(=O)N=C4CC=CC=C34 | | ACDLabs 10.04 | O=C(O)CO\N=C3/C4=CC=CCC4=N/C3=C1/C2=CC=CCC2=NC1=O |
|
| Name: | ({[(3E)-2'-OXO-2',7'-DIHYDRO-2,3'-BIINDOL-3(7H)-YLIDENE]AMINO}OXY)ACETIC ACID;
2-{O-[2'-(2-OXO-(2H3H)INDOLE-3-YLIDENE)-(2'H3'H)INDOLE-3'-YLIDENE]-AMINOOXY}-ACETATE |
| DrugBank: | DB07949 |
| ZINC: | ZINC000095920659 |
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