ChemSpider 2D Image | 1,3-Thiazol-5-ylmethyl {(2S,3S,5S)-3-hydroxy-5-[(N-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](propyl)carbamoyl}-L-alanyl)amino]-1,6-diphenyl-2-hexanyl}carbamate | C37H48N6O5S2

1,3-Thiazol-5-ylmethyl {(2S,3S,5S)-3-hydroxy-5-[(N-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](propyl)carbamoyl}-L-alanyl)amino]-1,6-diphenyl-2-hexanyl}carbamate

  • Molecular FormulaC37H48N6O5S2
  • Average mass720.944 Da
  • Monoisotopic mass720.312744 Da
  • ChemSpider ID449995

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{(2S,3S,5S)-3-Hydroxy-5-[(N-{[(2-isopropyl-1,3-thiazol-4-yl)méthyl](propyl)carbamoyl}-L-alanyl)amino]-1,6-diphényl-2-hexanyl}carbamate de 1,3-thiazol-5-ylméthyle [French] [ACD/IUPAC Name]
1,3-Thiazol-5-ylmethyl {(2S,3S,5S)-3-hydroxy-5-[(N-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](propyl)carbamoyl}-L-alanyl)amino]-1,6-diphenyl-2-hexanyl}carbamate [ACD/IUPAC Name]
1,3-Thiazol-5-ylmethyl-{(2S,3S,5S)-3-hydroxy-5-[(N-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](propyl)carbamoyl}-L-alanyl)amino]-1,6-diphenyl-2-hexanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2S,4S)-2-hydroxy-4-[[(2S)-2-[[[[[2-(1-methylethyl)-4-thiazolyl]methyl]propylamino]carbonyl]amino]-1-oxopropyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester [ACD/Index Name]
1,3-Thiazol-5-ylmethyl {(1S,2S,4S)-1-benzyl-2-hydroxy-4-[(N-{[[(2-isopropyl-1,3-thiazol-4-yl)methyl](propyl)amino]carbonyl}-L-alanyl)amino]-5-phenylpentyl}carbamate

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

AIDS192423 [DBID]
AIDS-192423 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 951.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.1±3.0 kJ/mol
Flash Point: 529.1±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 199.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2149.04
ACD/KOC (pH 5.5): 8440.51
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2151.78
ACD/KOC (pH 7.4): 8451.27
Polar Surface Area: 202 Å2
Polarizability: 78.9±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 581.4±3.0 cm3

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