Substance
- Substance Name: ((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)-L-alanine
- Formula: C15H21NO4
- Molecular Weight: 279.33 g/mol
- Identifiers:
- inchi: InChI=1S/C15H21NO4/c1-3-20-15(19)13(16-11(2)14(17)18)10-9-12-7-5-4-6-8-12/h4-8,11,13,16H,3,9-10H2,1-2H3,(H,17,18)/t11-,13-/m0/s1
- inchikey: CEIWXEQZZZHLDM-AAEUAGOBSA-N
- casrn: 82717-96-2
- csmiles: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)O
- ismiles: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)O
- pubchemId: 5702571
- iupacname: (2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid
- wikidataId: Q27251157
- chemspiderId: 4642893
- ecnumber: 617-383-0
((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)-L-alanine
Systems and Datasets
- ((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)-L-alanine (Datasets: 2)
- Dataset 1 in paper 10.1021/acs.jced.8b00333 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 2 in paper 10.1021/acs.jced.8b00333 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- ((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)-L-alanine + ethanol (Datasets: 1)
- Dataset 3 in paper 10.1021/acs.jced.8b00333 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- ((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)-L-alanine + acetonitrile (Datasets: 1)
- Dataset 4 in paper 10.1021/acs.jced.8b00333 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- ((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)-L-alanine + propan-2-ol (Datasets: 1)
- Dataset 5 in paper 10.1021/acs.jced.8b00333 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- ((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)-L-alanine + acetone (Datasets: 1)
- Dataset 6 in paper 10.1021/acs.jced.8b00333 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- ((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)-L-alanine + ethyl acetate (Datasets: 1)
- Dataset 7 in paper 10.1021/acs.jced.8b00333 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- ((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)-L-alanine + octan-1-ol (Datasets: 1)
- Dataset 8 in paper 10.1021/acs.jced.8b00333 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)