ChemSpider 2D Image | TMC-89A | C21H36N4O9

TMC-89A

  • Molecular FormulaC21H36N4O9
  • Average mass488.532 Da
  • Monoisotopic mass488.248230 Da
  • ChemSpider ID28533027

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

L-Threoninamide, N-[(2R)-3-amino-2-methyl-1,3-dioxopropyl]-L-threonyl-N-[1-[[2-(hydroxymethyl)oxiranyl]carbonyl]-3-methylbutyl]- [ACD/Index Name]
N-[(2R)-3-Amino-2-methyl-3-oxopropanoyl]-L-threonyl-N-{1-[2-(hydroxymethyl)-2-oxiranyl]-4-methyl-1-oxo-2-pentanyl}-L-threoninamid [German] [ACD/IUPAC Name]
N-[(2R)-3-Amino-2-methyl-3-oxopropanoyl]-L-threonyl-N-{1-[2-(hydroxymethyl)-2-oxiranyl]-4-methyl-1-oxo-2-pentanyl}-L-threoninamide [ACD/IUPAC Name]
N-[(2R)-3-Amino-2-méthyl-3-oxopropanoyl]-L-thréonyl-N-{1-[2-(hydroxyméthyl)-2-oxiranyl]-4-méthyl-1-oxo-2-pentanyl}-L-thréoninamide [French] [ACD/IUPAC Name]
TMC-89A
N-[(2R)-3-amino-2-methyl-3-oxopropanoyl]-L-threonyl-N-{1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl}-L-threoninamide
  • Miscellaneous

    • Chemical Class:

      An epoxide that is oxiran-2-ylmethanol which is acylated at position 2 by an <element>N</element>-[(2<stereo>R</stereo>)-3-amino-2-methyl-3-oxopropanoyl]-<stereo>L</stereo>-threonyl-<stereo>L</stereo> -threonylleucinyl group. It is a proteasome inhibitor isolated from <ital>Streptomyces</ital> sp. TC 1087. ChEBI CHEBI:66281
      An epoxide that is oxiran-2-ylmethanol which is acylated at position 2 by an N-[(2R)-3-amino-2-methyl-3-oxopropanoyl]-L-threonyl-L; -threonylleucinyl group. It is a proteasome inhibitor isolated from Streptomyces sp. TC 1087. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66281
      An epoxide that is oxiran-2-ylmethanol which is acylated at position 2 by an N-[(2R)-3-amino-2-methyl-3-oxopropanoyl]-L-threonyl-L-threonylleucinyl group. It is a proteasome inhibitor isolated from St reptomyces sp. TC 1087. ChEBI CHEBI:66281

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 907.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.8±6.0 kJ/mol
Flash Point: 502.7±34.3 °C
Index of Refraction: 1.543
Molar Refractivity: 117.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: -0.48
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.10
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.10
Polar Surface Area: 221 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 372.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement