ChemSpider 2D Image | (2S,3S,5S)-5-Amino-1,6-diphenyl-2-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-3-hexanyl N-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valinate | C37H48N6O5S2

(2S,3S,5S)-5-Amino-1,6-diphenyl-2-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-3-hexanyl N-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valinate

  • Molecular FormulaC37H48N6O5S2
  • Average mass720.944 Da
  • Monoisotopic mass720.312744 Da
  • ChemSpider ID436161

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,5S)-5-Amino-1,6-diphenyl-2-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-3-hexanyl N-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valinate [ACD/IUPAC Name]
(2S,3S,5S)-5-Amino-1,6-diphenyl-2-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-3-hexanyl-N-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valinat [German] [ACD/IUPAC Name]
L-Valine, N-[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]-, (1S,3S)-3-amino-4-phenyl-1-[(1S)-2-phenyl-1-[[(5-thiazolylmethoxy)carbonyl]amino]ethyl]butyl ester [ACD/Index Name]
N-{[(2-Isopropyl-1,3-thiazol-4-yl)méthyl](méthyl)carbamoyl}-L-valinate de (2S,3S,5S)-5-amino-1,6-diphényl-2-{[(1,3-thiazol-5-ylméthoxy)carbonyl]amino}-3-hexanyle [French] [ACD/IUPAC Name]
[(2S,3S,5S)-5-Amino-1,6-diphenyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-3-yl] (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoate
959315-21-0 [RN]

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

AIDS156405 [DBID]
AIDS-156405 [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: 879.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.8±3.0 kJ/mol
Flash Point: 485.4±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 199.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 7.78
ACD/KOC (pH 5.5): 21.75
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 170.36
ACD/KOC (pH 7.4): 476.49
Polar Surface Area: 205 Å2
Polarizability: 78.9±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 585.5±3.0 cm3

Click to predict properties on the Chemicalize site


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