| PDB CCD ID: | QQ3 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C18 H18 N2 O4 |
| InChI: | InChI=1S/C18H18N2O4/c1-3-6-11(9-14(21)22)20-17(23)15-10(2)19-13-8-5-4-7-12(13)16(15)18(20)24/h4-5,7-8,11H,3,6,9H2,1-2H3,(H,21,22)/t11-/m1/s1 |
| InChIKey: | AZYBNXOGXCANBA-LLVKDONJSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.352 | CCC[CH](CC(O)=O)N1C(=O)c2c(C)nc3ccccc3c2C1=O | | CACTVS 3.352 | CCC[C@H](CC(O)=O)N1C(=O)c2c(C)nc3ccccc3c2C1=O | | OpenEye OEToolkits 1.6.1 | CCCC(CC(=O)O)N1C(=O)c2c(nc3ccccc3c2C1=O)C | | ACDLabs 10.04 | O=C(O)CC(N3C(=O)c2c(nc1ccccc1c2C3=O)C)CCC | | OpenEye OEToolkits 1.6.1 | CCC[C@H](CC(=O)O)N1C(=O)c2c(nc3ccccc3c2C1=O)C |
|
| Name: | (3R)-3-(4-METHYL-1,3-DIOXO-1,3-DIHYDRO-2H-PYRROLO[3,4-C]QUINOLIN-2-YL)HEXANOIC ACID |
| ZINC: | ZINC000058650456 |
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