ChemSpider 2D Image | tert-butyl (2E,4S)-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]pent-2-enoate | C28H33N5O7

tert-butyl (2E,4S)-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]pent-2-enoate

  • Molecular FormulaC28H33N5O7
  • Average mass551.591 Da
  • Monoisotopic mass551.237976 Da
  • ChemSpider ID4980034

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2E,4S)-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]-2-penténoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (2E,4S)-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]-2-pentenoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2E,4S)-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]-2-pentenoat [German] [ACD/IUPAC Name]
2-Pentenoic acid, 4-[[(2S)-2-[3-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-2-oxo-1(2H)-pyridinyl]-1-oxo-4-pentyn-1-yl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-, 1,1-dimethylethyl ester, (2E,4S)- [ACD/Index Name]
tert-butyl (2E,4S)-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]pent-2-enoate
(1S,5S)-4-((S)-2-{3-[(5-Methyl-isoxazole-3-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-pent-4-ynoylamino)-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid tert-butyl ester
2-Pentenoic acid, 4-[[(2S)-2-[3-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-2-oxo-1(2H)-pyridinyl]-1-oxo-4-pentynyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-, 1,1-dimethylethyl ester, (2E,4S)-

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

AIDS185175 [DBID]
AIDS-185175 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 912.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.7±3.0 kJ/mol
Flash Point: 505.4±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 143.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: -0.97
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.10
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.03
Polar Surface Area: 160 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 62.5±5.0 dyne/cm
Molar Volume: 420.2±5.0 cm3

Click to predict properties on the Chemicalize site


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