ChemSpider 2D Image | N-Isobutyryl-L-leucyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxo-2-hepten-4-yl]-L-phenylalaninamide | C28H42N4O6

N-Isobutyryl-L-leucyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxo-2-hepten-4-yl]-L-phenylalaninamide

  • Molecular FormulaC28H42N4O6
  • Average mass530.656 Da
  • Monoisotopic mass530.310425 Da
  • ChemSpider ID4979460

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Phenylalaninamide, N-(2-methyl-1-oxopropyl)-L-leucyl-N-[(1S,2E)-1-(3-amino-3-oxopropyl)-4-ethoxy-4-oxo-2-buten-1-yl]- [ACD/Index Name]
N-(2-methylpropanoyl)-L-leucyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxohept-2-en-4-yl]-L-phenylalaninamide
N-Isobutyryl-L-leucyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxo-2-hepten-4-yl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-Isobutyryl-L-leucyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxo-2-hepten-4-yl]-L-phenylalaninamide [ACD/IUPAC Name]
N-Isobutyryl-L-leucyl-N-[(2E,4S)-7-amino-1-éthoxy-1,7-dioxo-2-heptén-4-yl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
(E)-(S)-6-Carbamoyl-4-[(S)-2-((S)-2-isobutyrylamino-4-methyl-pentanoylamino)-3-phenyl-propionylamino]-hex-2-enoic acid ethyl ester
6-Carbamoyl-4-[2-(2-isobutyrylamino-4-methyl-pentanoylamino)-3-phenyl-propionylamino]-hex-2-enoic acid, ethyl ester

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

AIDS163944 [DBID]
AIDS-163944 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 857.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.6±3.0 kJ/mol
Flash Point: 472.2±34.3 °C
Index of Refraction: 1.527
Molar Refractivity: 144.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.58
ACD/KOC (pH 5.5): 225.24
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.58
ACD/KOC (pH 7.4): 225.24
Polar Surface Area: 157 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 470.0±3.0 cm3

Click to predict properties on the Chemicalize site


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