![2,2-Dimethyl-4,6-dioxo-3-[(diphenylmethyl)oxycarbonyl]-1,4-diazacycloheptano[3,4-b]-(1,3)-thiazolidine](/api/spectrum/1zlShrQWJvP/structure.png?h=300&w=458 "2,2-Dimethyl-4,6-dioxo-3-[(diphenylmethyl)oxycarbonyl]-1,4-diazacycloheptano[3,4-b]-(1,3)-thiazolidine")
| SpectraBase Compound ID | ITV4EHnNYkJ |
|---|---|
| InChI | InChI=1S/C23H24N2O4S/c1-23(2)21(25-18(27)13-17(26)24-14-19(25)30-23)22(28)29-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,19-21H,13-14H2,1-2H3,(H,24,26)/t19-,21+/m1/s1 |
| InChIKey | WJYMXXBCKANQIQ-CTNGQTDRSA-N |
| Mol Weight | 424.52 g/mol |
| Molecular Formula | C23H24N2O4S |
| Exact Mass | 424.145678 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1zlShrQWJvP |
|---|---|
| Name | 2,2-Dimethyl-4,6-dioxo-3-[(diphenylmethyl)oxycarbonyl]-1,4-diazacycloheptano[3,4-b]-(1,3)-thiazolidine |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H24N2O4S |
| InChI | InChI=1S/C23H24N2O4S/c1-23(2)21(25-18(27)13-17(26)24-14-19(25)30-23)22(28)29-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,19-21H,13-14H2,1-2H3,(H,24,26)/t19-,21+/m1/s1 |
| InChIKey | WJYMXXBCKANQIQ-CTNGQTDRSA-N |
| Molecular Weight | 424.515 g/mol |
| SMILES | N1C(CC(N2[C@@](C1)(SC([C@@]2(C(OC(c1ccccc1)c1ccccc1)=O)[H])(C)C)[H])=O)=O |
| SPLASH | splash10-014i-0900000000-80f7fefb9dc9bbbc8209 |
| Source of Spectrum | D8-328-213-16 |
| Synonyms | (3S,9aR)-2,2-dimethyl-5,7-dioxo-3,8,9,9a-tetrahydrothiazolo[3,2-a][1,4]diazepine-3-carboxylic acid (diphenylmethyl) ester benzhydryl (3S,9aR)-2,2-dimethyl-5,7-dioxo-3,8,9,9a-tetrahydro-[1,3]thiazolo[3,2-a][1,4]diazepine-3-carboxylate benzhydryl (3S,9aR)-2,2-dimethyl-5,7-dioxo-3,8,9,9a-tetrahydrothiazolo[3,2-a][1,4]diazepine-3-carboxylate (diphenylmethyl) (3S,9aR)-2,2-dimethyl-5,7-bis(oxidanylidene)-3,8,9,9a-tetrahydro-[1,3]thiazolo[3,2-a][1,4]diazepine-3-carboxylate |
| Wiley ID | 1515768 |