ChemSpider 2D Image | 2-Desisopropyl-2-ethyl Ritonavir | C36H46N6O5S2

2-Desisopropyl-2-ethyl Ritonavir

  • Molecular FormulaC36H46N6O5S2
  • Average mass706.918 Da
  • Monoisotopic mass706.297119 Da
  • ChemSpider ID423623

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

165315-26-4 [RN]
2-Desisopropyl-2-ethyl Ritonavir
Carbamic acid, N-[(1S,2S,4S)-4-[[(2S)-2-[[[[(2-ethyl-4-thiazolyl)methyl]methylamino]carbonyl]amino]-3-methyl-1-oxobutyl]amino]-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester [ACD/Index Name]
N2-{[(2-Ethyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-L-valinamid [German] [ACD/IUPAC Name]
N2-{[(2-Ethyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-L-valinamide [ACD/IUPAC Name]
N2-{[(2-Éthyl-1,3-thiazol-4-yl)méthyl](méthyl)carbamoyl}-N-[(2S,4S,5S)-4-hydroxy-1,6-diphényl-5-{[(1,3-thiazol-5-ylméthoxy)carbonyl]amino}-2-hexanyl]-L-valinamide [French] [ACD/IUPAC Name]
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-1,6-di(phenyl)hexan-2-yl]carbamate
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-1,6-di(phenyl)hexan-2-yl]carbamate
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-ethyl-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6M6X3D822N [DBID]
AIDS104344 [DBID]
AIDS-104344 [DBID]
UNII:6M6X3D822N [DBID]
UNII-6M6X3D822N [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: 950.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 145.0±3.0 kJ/mol
    Flash Point: 528.9±34.3 °C
    Index of Refraction: 1.605
    Molar Refractivity: 194.3±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 4
    #Freely Rotating Bonds: 18
    #Rule of 5 Violations: 2
    ACD/LogP: 4.93
    ACD/LogD (pH 5.5): 4.76
    ACD/BCF (pH 5.5): 2448.14
    ACD/KOC (pH 5.5): 9265.56
    ACD/LogD (pH 7.4): 4.76
    ACD/BCF (pH 7.4): 2451.34
    ACD/KOC (pH 7.4): 9277.69
    Polar Surface Area: 202 Å2
    Polarizability: 77.0±0.5 10-24cm3
    Surface Tension: 54.9±3.0 dyne/cm
    Molar Volume: 564.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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