NIST TRC ThermoML Dataset

Substance

Substance Name: 6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Formula: C16H19N3O4S
Molecular Weight: 349.4 g/mol
Identifiers:
- inchi: InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)
- inchikey: AVKUERGKIZMTKX-UHFFFAOYSA-N
- casrn: 856649-99-5
- csmiles: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C
- ismiles: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C
- pubchemId: 2174
- iupacname: 6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- wikidataId: Q27166159
- chemspiderId: 2089

6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systems and Datasets

L-serine + 6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid + water (Datasets: 2)
- Dataset 1 in paper 10.1021/je3006425 (Dataseries: 3, Datapoints: 147, Quantity: Speed of sound)
- Dataset 2 in paper 10.1021/je3006425 (Dataseries: 3, Datapoints: 147, Quantity: Mass density)
6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid + water (Datasets: 5)
- Dataset 9 in paper 10.1016/j.tca.2012.10.018 (Dataseries: 3, Datapoints: 13, Quantity: Speed of sound)
- Dataset 10 in paper 10.1016/j.tca.2012.10.018 (Dataseries: 3, Datapoints: 12, Quantity: Mass density)
- Dataset 11 in paper 10.1016/j.tca.2013.09.006 (Dataseries: 1, Datapoints: 9, Quantity: Mass density)
- Dataset 12 in paper 10.1016/j.tca.2013.09.006 (Dataseries: 1, Datapoints: 9, Quantity: Speed of sound)
- Dataset 2 in paper 10.1016/j.fluid.2017.11.033 (Dataseries: 1, Datapoints: 50, Quantity: Molality)
2-aminoacetic acid + 6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid + water (Datasets: 2)
- Dataset 11 in paper 10.1016/j.tca.2012.10.018 (Dataseries: 3, Datapoints: 60, Quantity: Speed of sound)
- Dataset 12 in paper 10.1016/j.tca.2012.10.018 (Dataseries: 3, Datapoints: 60, Quantity: Mass density)
6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid + glycylglycine + water (Datasets: 2)
- Dataset 13 in paper 10.1016/j.tca.2012.10.018 (Dataseries: 3, Datapoints: 60, Quantity: Speed of sound)
- Dataset 14 in paper 10.1016/j.tca.2012.10.018 (Dataseries: 3, Datapoints: 60, Quantity: Mass density)
6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid + glycyl-L-leucine + water (Datasets: 2)
- Dataset 15 in paper 10.1016/j.tca.2012.10.018 (Dataseries: 3, Datapoints: 60, Quantity: Speed of sound)
- Dataset 16 in paper 10.1016/j.tca.2012.10.018 (Dataseries: 3, Datapoints: 60, Quantity: Mass density)
6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid + L-alanyl-L-alanine + water (Datasets: 2)
- Dataset 3 in paper 10.1016/j.tca.2013.09.006 (Dataseries: 3, Datapoints: 132, Quantity: Mass density)
- Dataset 4 in paper 10.1016/j.tca.2013.09.006 (Dataseries: 3, Datapoints: 132, Quantity: Speed of sound)
6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid + L-alanyl-L-valine + water (Datasets: 2)
- Dataset 5 in paper 10.1016/j.tca.2013.09.006 (Dataseries: 3, Datapoints: 132, Quantity: Mass density)
- Dataset 6 in paper 10.1016/j.tca.2013.09.006 (Dataseries: 3, Datapoints: 132, Quantity: Speed of sound)
6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid + L-alanyl-L-leucine + water (Datasets: 2)
- Dataset 7 in paper 10.1016/j.tca.2013.09.006 (Dataseries: 3, Datapoints: 132, Quantity: Mass density)
- Dataset 8 in paper 10.1016/j.tca.2013.09.006 (Dataseries: 3, Datapoints: 132, Quantity: Speed of sound)
6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid + ethanol + water (Datasets: 1)
- Dataset 1 in paper 10.1016/j.fluid.2017.11.033 (Dataseries: 4, Datapoints: 248, Quantity: Molality)