| PDB CCD ID: | UP4 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H19 Cl2 N O3 |
| InChI: | InChI=1S/C15H19Cl2NO3/c1-15(2,3)5-4-12(14(20)21)18-13(19)9-6-10(16)8-11(17)7-9/h6-8,12H,4-5H2,1-3H3,(H,18,19)(H,20,21)/t12-/m0/s1 |
| InChIKey: | GTMNLKRWZVHZAV-LBPRGKRZSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | C(NC(c1cc(Cl)cc(Cl)c1)=O)(C(=O)O)CCC(C)(C)C | | CACTVS 3.385 | CC(C)(C)CC[CH](NC(=O)c1cc(Cl)cc(Cl)c1)C(O)=O | | CACTVS 3.385 | CC(C)(C)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(O)=O | | OpenEye OEToolkits 2.0.7 | CC(C)(C)CC[C@@H](C(=O)O)NC(=O)c1cc(cc(c1)Cl)Cl | | OpenEye OEToolkits 2.0.7 | CC(C)(C)CCC(C(=O)O)NC(=O)c1cc(cc(c1)Cl)Cl |
|
| Name: | N-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-L-norleucine |
| ChEMBL: | CHEMBL4741088 |
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