| PDB CCD ID: | A1AKS |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H14 N4 O4 |
| InChI: | InChI=1S/C16H14N4O4/c21-16(22)13(9-1-2-11-12(7-9)24-6-5-23-11)20-15-10-3-4-17-14(10)18-8-19-15/h1-4,7-8,13H,5-6H2,(H,21,22)(H2,17,18,19,20) |
| InChIKey: | FHHVXLFEHODNRQ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(=O)[C@@H](Nc1ncnc2[nH]ccc12)c3ccc4OCCOc4c3 | | ACDLabs 12.01 | O=C(O)C(Nc1ncnc2[NH]ccc21)c1ccc2OCCOc2c1 | | OpenEye OEToolkits 2.0.7 | c1cc2c(cc1C(C(=O)O)Nc3c4cc[nH]c4ncn3)OCCO2 | | OpenEye OEToolkits 2.0.7 | c1cc2c(cc1[C@@H](C(=O)O)Nc3c4cc[nH]c4ncn3)OCCO2 | | CACTVS 3.385 | OC(=O)[CH](Nc1ncnc2[nH]ccc12)c3ccc4OCCOc4c3 |
|
| Name: | (2R)-(2,3-dihydro-1,4-benzodioxin-6-yl)[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetic acid |
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