| PDB CCD ID: | V6R |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C12 H17 F N2 O |
| InChI: | InChI=1S/C12H17FN2O/c1-3-11(14)12(16)15(2)8-9-6-4-5-7-10(9)13/h4-7,11H,3,8,14H2,1-2H3/t11-/m0/s1 |
| InChIKey: | XGMLBICNMQKJQY-NSHDSACASA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCC(C(=O)N(C)Cc1ccccc1F)N | | OpenEye OEToolkits 2.0.7 | CC[C@@H](C(=O)N(C)Cc1ccccc1F)N | | CACTVS 3.385 | CC[CH](N)C(=O)N(C)Cc1ccccc1F | | CACTVS 3.385 | CC[C@H](N)C(=O)N(C)Cc1ccccc1F | | ACDLabs 12.01 | Fc1ccccc1CN(C)C(=O)C(N)CC |
|
| Name: | (2S)-2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide |
| ChEMBL: | CHEMBL4917818 |
| ZINC: | ZINC000037507214 |
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