ChemSpider 2D Image | N-(2-Naphthoyl)-L-leucyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxo-2-hepten-4-yl]-L-phenylalaninamide | C35H42N4O6

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

  • Molecular FormulaC35H42N4O6
  • Average mass614.731 Da
  • Monoisotopic mass614.310425 Da
  • ChemSpider ID4979456

  • 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-naphthalenylcarbonyl)-L-leucyl-N-[(1S,2E)-1-(3-amino-3-oxopropyl)-4-ethoxy-4-oxo-2-buten-1-yl]- [ACD/Index Name]
N-(2-Naphthoyl)-L-leucyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxo-2-hepten-4-yl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-(2-Naphthoyl)-L-leucyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxo-2-hepten-4-yl]-L-phenylalaninamide [ACD/IUPAC Name]
N-(2-Naphtoyl)-L-leucyl-N-[(2E,4S)-7-amino-1-éthoxy-1,7-dioxo-2-heptén-4-yl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
N-(naphthalen-2-ylcarbonyl)-L-leucyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxohept-2-en-4-yl]-L-phenylalaninamide
(4S)-6-Carbamoyl-4-[[(2S)-{4-methyl-2-[(naphthalene-2-carbonyl)-amino]-pentanoylamino}]-[(2S)-3-phenyl-propionylamino)]]-hex-2(E)-enoic acid, ethyl ester
(E)-(S)-6-Carbamoyl-4-((S)-2-{(S)-4-methyl-2-[(naphthalene-2-carbonyl)-amino]-pentanoylamino}-3-phenyl-propionylamino)-hex-2-enoic acid ethyl ester

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

AIDS163940 [DBID]
AIDS-163940 [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: 960.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.0±3.0 kJ/mol
Flash Point: 534.8±34.3 °C
Index of Refraction: 1.586
Molar Refractivity: 173.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 4
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 810.89
ACD/KOC (pH 5.5): 4205.68
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 810.89
ACD/KOC (pH 7.4): 4205.66
Polar Surface Area: 157 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 516.5±3.0 cm3

Click to predict properties on the Chemicalize site


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