Found 246 results

Search term: MF = 'C_{21}H_{32}N_{4}O_{7}'
ChemSpider 2D Image | (3S)-3-({[(3S,6S,8aS)-6-{[(2S,3S)-2-Acetamido-3-methylpentanoyl]amino}-5-oxooctahydro-3-indolizinyl]carbonyl}amino)-4-oxobutanoic acid | C21H32N4O7

(3S)-3-({[(3S,6S,8aS)-6-{[(2S,3S)-2-Acetamido-3-methylpentanoyl]amino}-5-oxooctahydro-3-indolizinyl]carbonyl}amino)-4-oxobutanoic acid

  • Molecular FormulaC21H32N4O7
  • Average mass452.501 Da
  • Monoisotopic mass452.227112 Da
  • ChemSpider ID23161445

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S)-3-({[(3S,6S,8aS)-6-{[(2S,3S)-2-(acetylamino)-3-methylpentanoyl]amino}-5-oxooctahydroindolizin-3-yl]carbonyl}amino)-4-oxobutanoic acid (non-preferred name)
(3S)-3-({[(3S,6S,8aS)-6-{[(2S,3S)-2-Acetamido-3-methylpentanoyl]amino}-5-oxooctahydro-3-indolizinyl]carbonyl}amino)-4-oxobutanoic acid [ACD/IUPAC Name]
(3S)-3-({[(3S,6S,8aS)-6-{[(2S,3S)-2-Acetamido-3-methylpentanoyl]amino}-5-oxooctahydro-3-indolizinyl]carbonyl}amino)-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-({[(3S,6S,8aS)-6-{[(2S,3S)-2-acétamido-3-méthylpentanoyl]amino}-5-oxooctahydro-3-indolizinyl]carbonyl}amino)-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3-[[[(3S,6S,8aS)-6-[[(2S,3S)-2-(acetylamino)-3-methyl-1-oxopentyl]amino]octahydro-5-oxo-3-indolizinyl]carbonyl]amino]-4-oxo-, (3S)- [ACD/Index Name]
(S)-3-{[(S)-(5S,7S)-6-((3S,4S)-2-Acetylamino-3-methyl-pentanoylamino)-5-oxo-octahydro-indolizine-3-carbonyl]-amino}-4-oxo-butyric acid
CHEMBL71937

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

Density: 1.3±0.1 g/cm3
Boiling Point: 840.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 132.6±6.0 kJ/mol
Flash Point: 462.2±34.3 °C
Index of Refraction: 1.560
Molar Refractivity: 112.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -1.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 347.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement