Substance
- Substance Name: 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, 4-oxide, stereoisomer
- Formula: C16H18N2O5S
- Molecular Weight: 350.4 g/mol
- Identifiers:
- inchi: InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24(16)23)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-,24-/m1/s1
- inchikey: FCZNNHHXCFARDY-RRJWCGLDSA-N
- csmiles: CC1(C(N2C(S1=O)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C
- ismiles: CC1([C@@H](N2[C@H]([S@]1=O)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C
- pubchemId: 9543435
- iupacname: (2S,4S,5R,6R)-3,3-dimethyl-4,7-dioxo-6-[(2-phenylacetyl)amino]-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- casrn: 34104-15-9
- wikidataId: Q76393923
4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, 4-oxide, stereoisomer
Systems and Datasets
- 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, 4-oxide, stereoisomer (Datasets: 1)
- Dataset 1 in paper 10.1021/je900326e (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- ethyl acetate + 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, 4-oxide, stereoisomer (Datasets: 1)
- Dataset 2 in paper 10.1021/je900326e (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- 4-methylpentan-2-one + 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, 4-oxide, stereoisomer (Datasets: 1)
- Dataset 3 in paper 10.1021/je900326e (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- butyl ethanoate + 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, 4-oxide, stereoisomer (Datasets: 1)
- Dataset 4 in paper 10.1021/je900326e (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- toluene + 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, 4-oxide, stereoisomer (Datasets: 1)
- Dataset 5 in paper 10.1021/je900326e (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)