ChemSpider 2D Image | Methyl (3R)-3-amino-4-[(2S)-2-{[(1R)-2-{[2-(benzyloxy)-1-cyclopropyl-2-oxoethyl]amino}-1-cyclopentyl-2-oxoethyl]carbamoyl}-1-pyrrolidinyl]-4-oxobutanoate | C29H40N4O7

Methyl (3R)-3-amino-4-[(2S)-2-{[(1R)-2-{[2-(benzyloxy)-1-cyclopropyl-2-oxoethyl]amino}-1-cyclopentyl-2-oxoethyl]carbamoyl}-1-pyrrolidinyl]-4-oxobutanoate

  • Molecular FormulaC29H40N4O7
  • Average mass556.651 Da
  • Monoisotopic mass556.289673 Da
  • ChemSpider ID8778242

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3R)-3-Amino-4-[(2S)-2-{[(1R)-2-{[2-(benzyloxy)-1-cyclopropyl-2-oxoéthyl]amino}-1-cyclopentyl-2-oxoéthyl]carbamoyl}-1-pyrrolidinyl]-4-oxobutanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (3R)-3-amino-4-[(2S)-2-{[(1R)-2-{[2-(benzyloxy)-1-cyclopropyl-2-oxoethyl]amino}-1-cyclopentyl-2-oxoethyl]carbamoyl}-1-pyrrolidinyl]-4-oxobutanoate [ACD/IUPAC Name]
Methyl-(3R)-3-amino-4-[(2S)-2-{[(1R)-2-{[2-(benzyloxy)-1-cyclopropyl-2-oxoethyl]amino}-1-cyclopentyl-2-oxoethyl]carbamoyl}-1-pyrrolidinyl]-4-oxobutanoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 816.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 447.8±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 144.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 24.15
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 22.43
ACD/KOC (pH 7.4): 307.84
Polar Surface Area: 157 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 434.4±3.0 cm3

Click to predict properties on the Chemicalize site


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