ChemSpider 2D Image | 2-[(1S)-1-{[(2-{(1S)-1-[({2-[(1S)-1-Amino-2-methylpropyl]-1,3-oxazol-4-yl}carbonyl)amino]-2-methylpropyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methylpropyl]-5-methyl-1,3-oxazole-4-carboxylic acid | C25H34N6O6S

2-[(1S)-1-{[(2-{(1S)-1-[({2-[(1S)-1-Amino-2-methylpropyl]-1,3-oxazol-4-yl}carbonyl)amino]-2-methylpropyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methylpropyl]-5-methyl-1,3-oxazole-4-carboxylic acid

  • Molecular FormulaC25H34N6O6S
  • Average mass546.639 Da
  • Monoisotopic mass546.226074 Da
  • ChemSpider ID9332150

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-[(1S)-1-{[(2-{(1S)-1-[({2-[(1S)-1-Amino-2-methylpropyl]-1,3-oxazol-4-yl}carbonyl)amino]-2-methylpropyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methylpropyl]-5-methyl-1,3-oxazol-4-carbonsäure [German] [ACD/IUPAC Name]
2-[(1S)-1-{[(2-{(1S)-1-[({2-[(1S)-1-Amino-2-methylpropyl]-1,3-oxazol-4-yl}carbonyl)amino]-2-methylpropyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methylpropyl]-5-methyl-1,3-oxazole-4-carboxylic acid [ACD/IUPAC Name]
4-Oxazolecarboxylic acid, 2-[(1S)-1-[[[2-[(1S)-1-[[[2-[(1S)-1-amino-2-methylpropyl]-4-oxazolyl]carbonyl]amino]-2-methylpropyl]-4-thiazolyl]carbonyl]amino]-2-methylpropyl]-5-methyl- [ACD/Index Name]
Acide 2-[(1S)-1-{[(2-{(1S)-1-[({2-[(1S)-1-amino-2-méthylpropyl]-1,3-oxazol-4-yl}carbonyl)amino]-2-méthylpropyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-méthylpropyl]-5-méthyl-1,3-oxazole-4-carboxylique [French] [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: 774.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 422.4±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 141.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.91
ACD/LogD (pH 5.5): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 215 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 427.0±3.0 cm3

Click to predict properties on the Chemicalize site


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