PDB CCD ID: | V29 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C12 H15 N O3 |
InChI: | InChI=1S/C12H15NO3/c14-11(15)12(6-7-16-9-12)13-8-10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)/t12-/m1/s1 |
InChIKey: | UZLSSCFGNVYENJ-GFCCVEGCSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | OC(=O)[C]1(CCOC1)NCc2ccccc2 | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)CNC2(CCOC2)C(=O)O | CACTVS 3.385 | OC(=O)[C@]1(CCOC1)NCc2ccccc2 | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)CN[C@@]2(CCOC2)C(=O)O | ACDLabs 12.01 | O=C(O)C1(NCc2ccccc2)CCOC1 |
|
Name: | (3R)-3-(benzylamino)oxolane-3-carboxylic acid |
ZINC: | ZINC000070992864 |