ChemSpider 2D Image | N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N~2~-({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide | C36H46N6O5S2

N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N2-({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide

  • Molecular FormulaC36H46N6O5S2
  • Average mass706.918 Da
  • Monoisotopic mass706.297119 Da
  • ChemSpider ID23190244

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1Z,2S)-N-[(2S,4S,5S)-4-Hydroxy-5-{(E)-[hydroxy(1,3-thiazol-5-ylmethoxy)methylen]amino}-1,6-diphenyl-2-hexanyl]-2-{[(Z)-hydroxy{[(2-isopropyl-1,3-thiazol-4-yl)methyl]imino}methyl]amino}-3-methylbutani midsäure [German] [ACD/IUPAC Name]
(1Z,2S)-N-[(2S,4S,5S)-4-Hydroxy-5-{(E)-[hydroxy(1,3-thiazol-5-ylmethoxy)methylene]amino}-1,6-diphenyl-2-hexanyl]-2-{[(Z)-hydroxy{[(2-isopropyl-1,3-thiazol-4-yl)methyl]imino}methyl]amino}-3-methylbutan imidic acid [ACD/IUPAC Name]
Acide (1Z,2S)-N-[(2S,4S,5S)-4-hydroxy-5-{(E)-[hydroxy(1,3-thiazol-5-ylméthoxy)méthylène]amino}-1,6-diphényl-2-hexanyl]-2-{[(Z)-hydroxy{[(2-isopropyl-1,3-thiazol-4-yl)méthyl]imino}méthyl]amino}-3-méthy lbutanimidique [French] [ACD/IUPAC Name]
Butanimidic acid, N-[(1S,3S,4S)-3-hydroxy-4-[[(1E)-hydroxy(5-thiazolylmethoxy)methylene]amino]-5-phenyl-1-(phenylmethyl)pentyl]-2-[[(Z)-hydroxy[[[2-(1-methylethyl)-4-thiazolyl]methyl]imino]methyl]amin o]-3-methyl-, (1Z,2S)- [ACD/Index Name]
carbamic acid, N-[(1S,2S,4S)-2-hydroxy-4-[[(2S)-3-methyl-2-[[[[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester
N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N2-({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide
(1-Benzyl-2-hydroxy-4-{2-[3-(2-isopropyl-thiazol-4-ylmethyl)-ureido]-3-methyl-butyrylamino}-5-phenyl-pentyl)-carbamic acid thiazol-5-ylmethyl ester
(2S)-N-[(2S,4S,5S)-4-hydroxy-5-{[hydroxy(1,3-thiazol-5-ylmethoxy)methylidene]amino}-1,6-diphenylhexan-2-yl]-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl]-C-hydroxycarbonimidoyl}amino)-3-methylbutanimidic acid
N-Desmethylritonavir

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

Density: 1.2±0.0 g/cm3
Boiling Point: 945.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 144.2±0.0 kJ/mol
Flash Point: 525.8±0.0 °C
Index of Refraction: 1.601
Molar Refractivity: 194.2±0.0 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2578.60
ACD/KOC (pH 5.5): 9617.61
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2580.86
ACD/KOC (pH 7.4): 9626.04
Polar Surface Area: 211 Å2
Polarizability: 77.0±0.0 10-24cm3
Surface Tension: 54.1±0.0 dyne/cm
Molar Volume: 566.8±0.0 cm3

Click to predict properties on the Chemicalize site


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