PDB CCD ID: | A1BFN |
Number of entries in BioLiP: | 1 |
Chemical formula: | C14 H16 F N O3 |
InChI: | InChI=1S/C14H16FNO3/c15-12-5-3-10(4-6-12)8-13(17)16-7-1-2-11(9-16)14(18)19/h3-6,11H,1-2,7-9H2,(H,18,19) |
InChIKey: | ISRBHDOSFNPUED-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 3.1.0.0 | c1cc(ccc1CC(=O)N2CCC[C@@H](C2)C(=O)O)F | CACTVS 3.385 | OC(=O)[CH]1CCCN(C1)C(=O)Cc2ccc(F)cc2 | OpenEye OEToolkits 3.1.0.0 | c1cc(ccc1CC(=O)N2CCCC(C2)C(=O)O)F | CACTVS 3.385 | OC(=O)[C@H]1CCCN(C1)C(=O)Cc2ccc(F)cc2 | ACDLabs 14.52 | O=C(Cc1ccc(F)cc1)N1CCCC(C1)C(=O)O |
|
Name: | (3S)-1-[(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid |