| SpectraBase Spectrum ID |
EXLcTiBnztK |
| Name |
N-(4-Bromophenyl)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
487.056525751 u |
| Formula |
C22H22BrN3O3S |
| InChI |
InChI=1S/C22H22BrN3O3S/c1-22(2)18(19(28)24-15-10-8-14(23)9-11-15)26-20(29)17(21(26)30-22)25-16(27)12-13-6-4-3-5-7-13/h3-11,17-18,21H,12H2,1-2H3,(H,24,28)(H,25,27) |
| InChIKey |
KEFHKXAPXUQRNJ-UHFFFAOYSA-N |
| Molecular Weight |
488.400 g/mol |
| SMILES |
N(C1C2N(C(C(NC=3C=CC(=CC3)Br)=O)C(S2)(C)C)C1=O)C(=O)CC1=CC=CC=C1 |
![N-(4-bromophenyl)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide](/api/spectrum/EXLcTiBnztK/structure.png?h=300&w=458 "N-(4-bromophenyl)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide")
