| PDB CCD ID: | PHX |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C14 H14 N2 O4 |
| InChI: | InChI=1S/C14H14N2O4/c17-12(18)7-4-8-15-9-11-14(19)20-13(16-11)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2,(H,17,18) |
| InChIKey: | PXGNVFUWTUIRCJ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C1OC(=N\C1=C\NCCCC(=O)O)c2ccccc2 | | CACTVS 3.385 | OC(=O)CCCNC=C1N=C(OC1=O)c2ccccc2 | | CACTVS 3.385 | OC(=O)CCCN\C=C1/N=C(OC1=O)c2ccccc2 | | OpenEye OEToolkits 1.9.2 | c1ccc(cc1)C2=NC(=CNCCCC(=O)O)C(=O)O2 |
|
| Name: | 4-{[(Z)-(5-OXO-2-PHENYL-1,3-OXAZOL-4(5H)-YLIDENE)METHYL]AMINO}BUTANOIC ACID |
| DrugBank: | DB08396 |
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