| SpectraBase Spectrum ID |
AgopXZpxsls |
| Name |
(3R,6R)-5-Oxo-2,2-dimethyl-6-(2'-phenylacetylamino)-perhydro-1,4-thiazepine-3-carboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20N2O4S |
| InChI |
InChI=1S/C16H20N2O4S/c1-16(2)13(15(21)22)18-14(20)11(9-23-16)17-12(19)8-10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/t11-,13+/m0/s1 |
| InChIKey |
SUYFWZRIWIMTTD-WCQYABFASA-N |
| Molecular Weight |
336.406 g/mol |
| SMILES |
N1C([C@](CSC([C@]1(C(=O)O)[H])(C)C)(NC(=O)Cc1ccccc1)[H])=O |
| SPLASH |
splash10-00kf-9500000000-327b0a051075b5229f26 |
| Source of Spectrum |
U-1997-1717-12 |
| Synonyms |
(3R,6R)-2,2-dimethyl-5-oxo-6-[(phenylacetyl)amino]hexahydro-1,4-thiazepine-3-carboxylic acid
(3S,6R)-5-Oxo-2,2-dimethyl-6-(2'-phenylacetylamino)-perhydro-1,4-thiazepine-3-carboxylic acid |
| Wiley ID |
770086 |
