ChemSpider 2D Image | Ethyl (2E,4S)-4-({(2S)-2-[(3S)-3-{[(benzyloxy)carbonyl]amino}-2-oxo-1-pyrrolidinyl]-4-methylpentanoyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoate | C29H40N4O7

Ethyl (2E,4S)-4-({(2S)-2-[(3S)-3-{[(benzyloxy)carbonyl]amino}-2-oxo-1-pyrrolidinyl]-4-methylpentanoyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoate

  • Molecular FormulaC29H40N4O7
  • Average mass556.651 Da
  • Monoisotopic mass556.289673 Da
  • ChemSpider ID9562269

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E,4S)-4-({(2S)-2-[(3S)-3-{[(Benzyloxy)carbonyl]amino}-2-oxo-1-pyrrolidinyl]-4-méthylpentanoyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-penténoate d'éthyle [French] [ACD/IUPAC Name]
2-Pentenoic acid, 4-[[(2S)-4-methyl-1-oxo-2-[(3S)-2-oxo-3-[[(phenylmethoxy)carbonyl]amino]-1-pyrrolidinyl]pentyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-, ethyl ester, (2E,4S)- [ACD/Index Name]
Ethyl (2E,4S)-4-({(2S)-2-[(3S)-3-{[(benzyloxy)carbonyl]amino}-2-oxo-1-pyrrolidinyl]-4-methylpentanoyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoate [ACD/IUPAC Name]
Ethyl-(2E,4S)-4-({(2S)-2-[(3S)-3-{[(benzyloxy)carbonyl]amino}-2-oxo-1-pyrrolidinyl]-4-methylpentanoyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 831.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 456.4±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 147.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.25
ACD/KOC (pH 5.5): 256.04
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.25
ACD/KOC (pH 7.4): 256.02
Polar Surface Area: 143 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 448.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement