ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxo-2-hepten-4-yl]-3-(1H-imidazol-2-yl)-L-alaninamide | C29H40N6O7

N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxo-2-hepten-4-yl]-3-(1H-imidazol-2-yl)-L-alaninamide

  • Molecular FormulaC29H40N6O7
  • Average mass584.664 Da
  • Monoisotopic mass584.295837 Da
  • ChemSpider ID4979475

  • 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-Alaninamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-[(1S,2E)-1-(3-amino-3-oxopropyl)-4-ethoxy-4-oxo-2-buten-1-yl]-3-(1H-imidazol-2-yl)- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxo-2-hepten-4-yl]-3-(1H-imidazol-2-yl)-L-alaninamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxo-2-hepten-4-yl]-3-(1H-imidazol-2-yl)-L-alaninamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2E,4S)-7-amino-1-éthoxy-1,7-dioxo-2-heptén-4-yl]-3-(1H-imidazol-2-yl)-L-alaninamide [French] [ACD/IUPAC Name]
4-[2-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-3-(1H-imidazol-2-yl)-propionylamino]-6-carbamoyl-hex-2-enoic acid, ethyl ester

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

AIDS163959 [DBID]
AIDS-163959 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 957.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.6±3.0 kJ/mol
Flash Point: 533.1±34.3 °C
Index of Refraction: 1.562
Molar Refractivity: 154.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.30
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 8.74
ACD/KOC (pH 7.4): 149.91
Polar Surface Area: 195 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 475.2±3.0 cm3

Click to predict properties on the Chemicalize site


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