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

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

  • Molecular FormulaC37H48N6O5S2
  • Average mass720.944 Da
  • Monoisotopic mass720.312744 Da
  • ChemSpider ID450011

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

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

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

AIDS192439 [DBID]
AIDS-192439 [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: 5.67
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2463.73
ACD/KOC (pH 5.5): 9297.18
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2476.74
ACD/KOC (pH 7.4): 9346.27
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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