basic_info |
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| Product_Name: | 3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-CYANOPHENYL)PROPANOIC ACID |
| CAS: | 683219-46-7 |
| EnglishSynonyms: | BOC-DL-3-AMINO-3-(3-CYANO-PHENYL)-PROPIONIC ACID ; 3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-CYANOPHENYL)PROPANOIC ACID |
| pro_mdlNumber: | MFCD03003756 |
| pro_acceptors: | 6 |
| pro_donors: | 2 |
| pro_smile: | CC(C)(C)OC(=O)NC(CC(=O)O)c1cccc(c1)C#N |
| InChi: | InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(8-13(18)19)11-6-4-5-10(7-11)9-16/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19) |
| InChiKey: | InChIKey=QSPUAVCHVGCBGN-UHFFFAOYSA-N |
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