ChemSpider 2D Image | N~2~-Acetyl-N-[(2S,4S,5S)-5-({[(5S)-3-(3-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]carbonyl}amino)-4-hydroxy-1,6-diphenyl-2-hexanyl]-L-valinamide | C37H44N4O7

N2-Acetyl-N-[(2S,4S,5S)-5-({[(5S)-3-(3-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]carbonyl}amino)-4-hydroxy-1,6-diphenyl-2-hexanyl]-L-valinamide

  • Molecular FormulaC37H44N4O7
  • Average mass656.768 Da
  • Monoisotopic mass656.320984 Da
  • ChemSpider ID20581197
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

5-Oxazolidinecarboxamide, N-[(1S,2S,4S)-4-[[(2S)-2-(acetylamino)-3-methyl-1-oxobutyl]amino]-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-3-(3-acetylphenyl)-2-oxo-, (5S)- [ACD/Index Name]
N2-Acetyl-N-[(1s,3s,4s)-4-({[(5s)-3-(3-Acetylphenyl)-2-Oxo-1,3-Oxazolidin-5-Yl]carbonyl}amino)-1-Benzyl-3-Hydroxy-5-Phenylpentyl]-L-Valinamide
N2-Acetyl-N-[(2S,4S,5S)-5-({[(5S)-3-(3-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]carbonyl}amino)-4-hydroxy-1,6-diphenyl-2-hexanyl]-L-valinamid [German] [ACD/IUPAC Name]
N2-Acetyl-N-[(2S,4S,5S)-5-({[(5S)-3-(3-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]carbonyl}amino)-4-hydroxy-1,6-diphenyl-2-hexanyl]-L-valinamide [ACD/IUPAC Name]
N2-Acétyl-N-[(2S,4S,5S)-5-({[(5S)-3-(3-acétylphényl)-2-oxo-1,3-oxazolidin-5-yl]carbonyl}amino)-4-hydroxy-1,6-diphényl-2-hexanyl]-L-valinamide [French] [ACD/IUPAC Name]
Hydroxyethylene Isostere-Based Compound, 13e
μ1

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 948.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.6±3.0 kJ/mol
Flash Point: 527.3±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 179.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 310.22
ACD/KOC (pH 5.5): 2114.18
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 310.22
ACD/KOC (pH 7.4): 2114.17
Polar Surface Area: 154 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 533.8±3.0 cm3

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