ChemSpider 2D Image | Ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxo-1(2H)-pyridinyl]-4-pentynoyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]pentanoate | C26H31N5O7

Ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxo-1(2H)-pyridinyl]-4-pentynoyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]pentanoate

  • Molecular FormulaC26H31N5O7
  • Average mass525.554 Da
  • Monoisotopic mass525.222351 Da
  • ChemSpider ID35034643
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(4R)-4-({(2S)-2-[3-{[(5-Méthyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxo-1(2H)-pyridinyl]-4-pentynoyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]pentanoate d'éthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinepentanoic acid, γ-[[(2S)-2-[3-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-2-oxo-1(2H)-pyridinyl]-1-oxo-4-pentyn-1-yl]amino]-2-oxo-, ethyl ester, (γR,3S)- [ACD/Index Name]
Ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxo-1(2H)-pyridinyl]-4-pentynoyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]pentanoate [ACD/IUPAC Name]
Ethyl (4r)-4-({(2s)-2-[3-{[(5-Methyl-1,2-Oxazol-3-Yl)carbonyl]amino}-2-Oxopyridin-1(2h)-Yl]pent-4-Ynoyl}amino)-5-[(3s)-2-Oxopyrrolidin-3-Yl]pentanoate
Ethyl-(4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxo-1(2H)-pyridinyl]-4-pentynoyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]pentanoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 913.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.9±3.0 kJ/mol
Flash Point: 506.5±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 133.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: -2.15
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.76
ACD/LogD (pH 7.4): -0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.73
Polar Surface Area: 160 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 394.3±5.0 cm3

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