| PDB CCD ID: | A1A2J |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C12 H14 N2 O3 |
| InChI: | InChI=1S/C12H14N2O3/c13-9-6-10(12(16)17)14(7-9)11(15)8-4-2-1-3-5-8/h1-5,9-10H,6-7,13H2,(H,16,17)/t9-,10-/m0/s1 |
| InChIKey: | GTODXOQKGULQFP-UWVGGRQHSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | N[CH]1C[CH](N(C1)C(=O)c2ccccc2)C(O)=O | | CACTVS 3.385 | N[C@H]1C[C@H](N(C1)C(=O)c2ccccc2)C(O)=O | | ACDLabs 14.52 | NC1CC(C(=O)O)N(C1)C(=O)c1ccccc1 | | OpenEye OEToolkits 3.1.0.0 | c1ccc(cc1)C(=O)N2C[C@H](C[C@H]2C(=O)O)N | | OpenEye OEToolkits 3.1.0.0 | c1ccc(cc1)C(=O)N2CC(CC2C(=O)O)N |
|
| Name: | (2S,4S)-4-amino-1-benzoylpyrrolidine-2-carbaldehyde |
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