ChemSpider 2D Image | 2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-(2-METHYLPROPIONYL)IMIDAZOLE | C38H46N4O5

2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-(2-METHYLPROPIONYL)IMIDAZOLE

  • Molecular FormulaC38H46N4O5
  • Average mass638.796 Da
  • Monoisotopic mass638.346802 Da
  • ChemSpider ID393559

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-(2-METHYLPROPIONYL)IMIDAZOLE
carbamic acid, N-[(1S)-1-[[[(1S,2S,4R)-2-hydroxy-4-[4-(2-methyl-1-oxopropyl)-1H-imidazol-2-yl]-5-phenyl-1-(phenylmethyl)pentyl]amino]carbonyl]-2-methylpropyl]-, phenylmethyl ester
Carbamic acid, N-[(1S)-1-[[[(1S,2S,4R)-2-hydroxy-4-[5-(2-methyl-1-oxopropyl)-1H-imidazol-2-yl]-5-phenyl-1-(phenylmethyl)pentyl]amino]carbonyl]-2-methylpropyl]-, phenylmethyl ester [ACD/Index Name]
N2-[(Benzyloxy)carbonyl]-N-[(2S,3S,5R)-3-hydroxy-5-(5-isobutyryl-1H-imidazol-2-yl)-1,6-diphenyl-2-hexanyl]-L-valinamid [German] [ACD/IUPAC Name]
N2-[(Benzyloxy)carbonyl]-N-[(2S,3S,5R)-3-hydroxy-5-(5-isobutyryl-1H-imidazol-2-yl)-1,6-diphenyl-2-hexanyl]-L-valinamide [ACD/IUPAC Name]
N2-[(Benzyloxy)carbonyl]-N-[(2S,3S,5R)-3-hydroxy-5-(5-isobutyryl-1H-imidazol-2-yl)-1,6-diphényl-2-hexanyl]-L-valinamide [French] [ACD/IUPAC Name]
N2-[(benzyloxy)carbonyl]-N-{(2S,3S,5R)-3-hydroxy-5-[4-(2-methylpropanoyl)-1H-imidazol-2-yl]-1,6-diphenylhexan-2-yl}-L-valinamide
(2S)-N-{(1S,2S,4R)-2-Hydroxy-4-[5-(2-methylpropanoyl)imidazol-2-yl]-5-phenyl-1-benzylpentyl}-3-methyl-2-[(phenylmethoxy)carbonylamino]butanamide
{(S)-1-[(1S,2S,4R)-1-Benzyl-2-hydroxy-4-(5-isobutyryl-1H-imidazol-2-yl)-5-phenyl-pentylcarbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL326473/
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS028544 [DBID]
AIDS-028544 [DBID]
SB 206343 [DBID]
SB-206343 [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: 892.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.9±3.0 kJ/mol
Flash Point: 493.5±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 182.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 12218.61
ACD/KOC (pH 5.5): 28944.65
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12761.42
ACD/KOC (pH 7.4): 30230.50
Polar Surface Area: 133 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 540.4±3.0 cm3

Click to predict properties on the Chemicalize site


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