| SpectraBase Spectrum ID |
EtHKvjwNZHs |
| Name |
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-(1-methyl-4-oxo-2-pentenylidene)-7-oxo-, (4-nitrophenyl)methyl ester, [2S-[2.alpha.,5.alpha.,6E(E)]]- |
| Alternate Name(s) |
4-Nitrobenzyl (2S,5R,6E)-3,3-dimethyl-6-[(2E)-1-methyl-4-oxo-2-pentenylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
p-Nitrobenzyl 6-(1'-methyl-4'-oxopent-2'-enylidene)penicil-lanate |
| CAS Registry Number |
128227-59-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22N2O6S |
| InChI |
InChI=1S/C21H22N2O6S/c1-12(5-6-13(2)24)16-18(25)22-17(21(3,4)30-19(16)22)20(26)29-11-14-7-9-15(10-8-14)23(27)28/h5-10,17,19H,11H2,1-4H3/b6-5+,16-12+/t17-,19+/m0/s1 |
| InChIKey |
JTTXQMJGKVXANS-DEYFRGCDSA-N |
| Molecular Weight |
430.475 g/mol |
| SMILES |
[C@@]12(N([C@](C(S2)(C)C)(C(OCc2ccc(N(=O)=O)cc2)=O)[H])C(\C1=C\(\C=C\C(=O)C)C)=O)[H] |
| SPLASH |
splash10-0udi-1904000000-8439331bf47b94a4b6dd |
| Source of Spectrum |
KC-1990-94-7 |
| Wiley ID |
1381435 |
![4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-(1-methyl-4-oxo-2-pentenylidene)-7-oxo-, (4-nitrophenyl)methyl ester, [2S-[2.alpha.,5.alpha.,6E(E)]]-](/api/spectrum/EtHKvjwNZHs/structure.png?h=300&w=458 "4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-(1-methyl-4-oxo-2-pentenylidene)-7-oxo-, (4-nitrophenyl)methyl ester, [2S-[2.alpha.,5.alpha.,6E(E)]]-")
