| PDB CCD ID: | A1AFA |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H13 Cl2 N O3 |
| InChI: | InChI=1S/C16H13Cl2NO3/c17-11-6-7-12(13(18)9-11)15(20)19-14(16(21)22)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,19,20)(H,21,22)/t14-/m0/s1 |
| InChIKey: | KDUPLHIWRBQFEC-AWEZNQCLSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(=O)[CH](Cc1ccccc1)NC(=O)c2ccc(Cl)cc2Cl | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c2ccc(cc2Cl)Cl | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)CC(C(=O)O)NC(=O)c2ccc(cc2Cl)Cl | | CACTVS 3.385 | OC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccc(Cl)cc2Cl | | ACDLabs 12.01 | O=C(NC(Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1Cl |
|
| Name: | N-(2,4-dichlorobenzoyl)-L-phenylalanine |
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