Chemical Properties of Leucine-methionine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative

Leucine-methionine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative

InChI
InChI=1S/C16H27F3N2O4S/c1-10(2)9-12(21(4)15(24)16(17,18)19)13(22)20(3)11(7-8-26-6)14(23)25-5/h10-12H,7-9H2,1-6H3
InChI Key
KIKPQWCEMUACBF-UHFFFAOYSA-N
Formula
C16H27F3N2O4S
SMILES
COC(=O)C(CCSC)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(F)(F)F
Molecular Weight1
400.46
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 44.61 kJ/mol Joback Calculated Property
logPoct/wat 2.175 Crippen Calculated Property
McVol 288.500 ml/mol McGowan Calculated Property
Inp [2005.00; 2054.00]   Show Hide
Inp 2005.00 NIST
Inp 2005.00 NIST
Inp 2054.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [896.06; 966.35] J/mol×K [836.43; 1031.22] Show Hide
Cp,gas 896.06 J/mol×K 836.43 Joback Calculated Property
Cp,gas 910.21 J/mol×K 868.90 Joback Calculated Property
Cp,gas 923.31 J/mol×K 901.36 Joback Calculated Property
Cp,gas 935.44 J/mol×K 933.83 Joback Calculated Property
Cp,gas 946.62 J/mol×K 966.29 Joback Calculated Property
Cp,gas 956.91 J/mol×K 998.76 Joback Calculated Property
Cp,gas 966.35 J/mol×K 1031.22 Joback Calculated Property

Similar Compounds

Methionine-asparagine-threonine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. Tryptophan-leucine-methionine,N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. Cilazapril Me. Cilazapril desethyl 3Me (Cilazaprilate 3Me). Lysine-tyrosine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. amikacin. Tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. Pro-hydroxy-Pro, butyl ester, TFA. Perindopril desethyl - H2) Me (Perindoprilate - H2O Me). Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. 5-Pregnen-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS. Cialis. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1.

Find more compounds similar to Leucine-methionine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.