| SpectraBase Spectrum ID |
DTTzWm3SYkw |
| Name |
Methyl (3S,6S)-2,2-dimethyl-5-oxo-6-(2'-phenylacetylamino)-perhydro-1,4-thiazepine-3-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22N2O4S |
| InChI |
InChI=1S/C17H22N2O4S/c1-17(2)14(16(22)23-3)19-15(21)12(10-24-17)18-13(20)9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3,(H,18,20)(H,19,21)/t12-,14+/m1/s1 |
| InChIKey |
BFWUQXLUBXOGTD-OCCSQVGLSA-N |
| Molecular Weight |
350.433 g/mol |
| SMILES |
N1C([C@](NC(=O)Cc2ccccc2)(CSC([C@@]1(C(=O)OC)[H])(C)C)[H])=O |
| SPLASH |
splash10-00kf-9400000000-daefa569c95937c73a4b |
| Source of Spectrum |
U-1997-1715-6 |
| Synonyms |
Methyl (3S,6S)-2,2-dimethyl-5-oxo-6-[(phenylacetyl)amino]hexahydro-1,4-thiazepine-3-carboxylate |
| Wiley ID |
770096 |
