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CHEBI:182414 - [(1S,5R)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
| Formula | C17H21NO4 |
| Net Charge | 0 |
| Average Mass | 303.358 |
| Monoisotopic Mass | 303.14706 |
| SMILES | [H][C@]12CC(OC(=O)[C@H](CO)c3ccccc3)C[C@]([H])(C3OC31)N2C |
| InChI | InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12-,13-,14+,15?,16?/m1/s1 |
| InChIKey | STECJAGHUSJQJN-MKXJHAPZSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(1S,5R)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate (CHEBI:182414) is a 3-hydroxy carboxylic acid (CHEBI:61355) |
| IUPAC Name |
|---|
| [(1S,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate |