| PDB CCD ID: | U3R |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H15 N O3 |
| InChI: | InChI=1S/C13H15NO3/c1-9(15)14-7-11(12(8-14)13(16)17)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,16,17)/t11-,12+/m1/s1 |
| InChIKey: | UJHLINFGICYWPQ-NEPJUHHUSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | OC(=O)C1CN(CC1c1ccccc1)C(=O)C | | OpenEye OEToolkits 2.0.7 | CC(=O)N1CC(C(C1)C(=O)O)c2ccccc2 | | CACTVS 3.385 | CC(=O)N1C[C@@H]([C@H](C1)c2ccccc2)C(O)=O | | CACTVS 3.385 | CC(=O)N1C[CH]([CH](C1)c2ccccc2)C(O)=O | | OpenEye OEToolkits 2.0.7 | CC(=O)N1C[C@@H]([C@H](C1)C(=O)O)c2ccccc2 |
|
| Name: | (3R,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid |
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