ChemSpider 2D Image | (4R)-3-[(2S,3S)-2-Hydroxy-3-{[(2S)-2-{[(5-isoquinolinyloxy)acetyl]amino}butanoyl]amino}-4-phenylbutanoyl]-N-(2-methyl-2-propanyl)-1,3-thiazolidine-4-carboxamide | C33H41N5O6S

(4R)-3-[(2S,3S)-2-Hydroxy-3-{[(2S)-2-{[(5-isoquinolinyloxy)acetyl]amino}butanoyl]amino}-4-phenylbutanoyl]-N-(2-methyl-2-propanyl)-1,3-thiazolidine-4-carboxamide

  • Molecular FormulaC33H41N5O6S
  • Average mass635.773 Da
  • Monoisotopic mass635.277771 Da
  • ChemSpider ID422488

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4R)-3-[(2S,3S)-2-Hydroxy-3-{[(2S)-2-{[(5-isochinolinyloxy)acetyl]amino}butanoyl]amino}-4-phenylbutanoyl]-N-(2-methyl-2-propanyl)-1,3-thiazolidin-4-carboxamid [German] [ACD/IUPAC Name]
(4R)-3-[(2S,3S)-2-Hydroxy-3-{[(2S)-2-{[(5-isoquinolinyloxy)acetyl]amino}butanoyl]amino}-4-phenylbutanoyl]-N-(2-methyl-2-propanyl)-1,3-thiazolidine-4-carboxamide [ACD/IUPAC Name]
(4R)-3-[(2S,3S)-2-Hydroxy-3-{[(2S)-2-{[2-(5-isoquinoléinyloxy)acétyl]amino}butanoyl]amino}-4-phénylbutanoyl]-N-(2-méthyl-2-propanyl)-1,3-thiazolidine-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolidinecarboxamide, N-(1,1-dimethylethyl)-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[2-(5-isoquinolinyloxy)acetyl]amino]-1-oxobutyl]amino]-1-oxo-4-phenylbutyl]-, (4R)- [ACD/Index Name]
(R)-N-tert-Butyl-3-[(2S,3S)-2-hydroxy-3-[(S)-2-(5-isoquinolinyloxyactyl)aminobutanoyl]amino- 4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
5-iQoa-Abu-Apns-Thz-NHtBu

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

AIDS096901 [DBID]
AIDS-096901 [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: 1011.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.7±3.0 kJ/mol
Flash Point: 565.4±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 173.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 74.92
ACD/KOC (pH 5.5): 714.14
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.73
ACD/KOC (pH 7.4): 902.99
Polar Surface Area: 175 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 499.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement