| SpectraBase Spectrum ID |
5mi2EBoHr0o |
| Name |
(3S,6S)-2,2-dimethyl-5-oxidanylidene-6-(2-phenylethanoylamino)-1,4-thiazepane-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+/m1/s1 |
| InChIKey |
SUYFWZRIWIMTTD-YPMHNXCESA-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-9400000000-45ebfc22f84e6e93ca43 |
| Source of Spectrum |
U-1997-1717-12 |
| Synonyms |
(3S,6S)-2,2-dimethyl-5-oxo-6-[(1-oxo-2-phenylethyl)amino]-1,4-thiazepane-3-carboxylic acid
(3S,6S)-2,2-dimethyl-5-oxo-6-[(2-phenylacetyl)amino]-1,4-thiazepane-3-carboxylic acid
(3S,6S)-5-keto-2,2-dimethyl-6-[(2-phenylacetyl)amino]-1,4-thiazepane-3-carboxylic acid |
| Wiley ID |
770088 |
