ChemSpider 2D Image | 7412 | C29H51N5O4

7412

  • Molecular FormulaC29H51N5O4
  • Average mass533.746 Da
  • Monoisotopic mass533.394104 Da
  • ChemSpider ID409165
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(R-(R*,S*))-N-Methylglycyl-N-(3-((((1,1-dimethylethyl)amino)-carbonyl)(3-methylbutyl)amino)-2-hydroxy-1-(phenyl-methyl)propyl)-3-methyl-L-valinamide
159910-86-8 [RN]
3CF21QCB9J
7412
Droxinavir
L-Valinamide, N-methylglycyl-N-[(1S,2R)-3-[[[(1,1-dimethylethyl)amino]carbonyl](3-methylbutyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-methyl- [ACD/Index Name]
N-Methylglycyl-N-[(2S,3R)-3-hydroxy-4-{(3-methylbutyl)[(2-methyl-2-propanyl)carbamoyl]amino}-1-phenyl-2-butanyl]-3-methyl-L-valinamid [German] [ACD/IUPAC Name]
N-Methylglycyl-N-[(2S,3R)-3-hydroxy-4-{(3-methylbutyl)[(2-methyl-2-propanyl)carbamoyl]amino}-1-phenyl-2-butanyl]-3-methyl-L-valinamide [ACD/IUPAC Name]
N-Méthylglycyl-N-[(2S,3R)-3-hydroxy-4-{(3-méthylbutyl)[(2-méthyl-2-propanyl)carbamoyl]amino}-1-phényl-2-butanyl]-3-méthyl-L-valinamide [French] [ACD/IUPAC Name]
(2S)-N-[(1S,2R)-1-(benzyl)-3-(tert-butylcarbamoyl-isoamyl-amino)-2-hydroxy-propyl]-3,3-dimethyl-2-(sarcosylamino)butyramide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS044735 [DBID]
AIDS-044735 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 784.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 428.3±32.9 °C
Index of Refraction: 1.520
Molar Refractivity: 152.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.62
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 40.90
ACD/KOC (pH 7.4): 262.01
Polar Surface Area: 123 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 501.9±3.0 cm3

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