ChemSpider 2D Image | 2,2-Dimethylpropyl (2E,4S)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxo-1(2H)-pyridinyl]butanoyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoate | C28H37N5O7

2,2-Dimethylpropyl (2E,4S)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxo-1(2H)-pyridinyl]butanoyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoate

  • Molecular FormulaC28H37N5O7
  • Average mass555.623 Da
  • Monoisotopic mass555.269287 Da
  • ChemSpider ID4979792
  • 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]butanoyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-penténoate de 2,2-diméthylpropyle [French] [ACD/IUPAC Name]
2,2-Dimethylpropyl (2E,4S)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxo-1(2H)-pyridinyl]butanoyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoate [ACD/IUPAC Name]
2,2-dimethylpropyl (2E,4S)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]butanoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
2,2-Dimethylpropyl-(2E,4S)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxo-1(2H)-pyridinyl]butanoyl}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-oxobutyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-, 2,2-dimethylpropyl ester, (2E,4S)- [ACD/Index Name]
(1S,5S)-4-((S)-2-{3-[(5-Methyl-isoxazole-3-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-butyrylamino)-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid 2,2-dimethyl-propyl ester

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

AIDS177218 [DBID]
AIDS-177218 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 886.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.9±3.0 kJ/mol
Flash Point: 490.1±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 145.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: -0.56
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.59
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.47
Polar Surface Area: 160 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 435.3±5.0 cm3

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