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Search term: BVKOLKJKMVRTSB-QUMXDLMTSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | tert-butyl [(2S,3S,5R)-5-benzyl-3-hydroxy-6-{[(2S)-1-{[2-hydroxy-3-(morpholin-4-yl)propyl]amino}-3-methyl-1-oxobutan-2-yl]amino}-6-oxo-1-phenylhexan-2-yl]carbamate | C36H54N4O7

tert-butyl [(2S,3S,5R)-5-benzyl-3-hydroxy-6-{[(2S)-1-{[2-hydroxy-3-(morpholin-4-yl)propyl]amino}-3-methyl-1-oxobutan-2-yl]amino}-6-oxo-1-phenylhexan-2-yl]carbamate

  • Molecular FormulaC36H54N4O7
  • Average mass654.837 Da
  • Monoisotopic mass654.399231 Da
  • ChemSpider ID4586231

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

[(2S,3S,5R)-5-Benzyl-3-hydroxy-6-{[(2S)-1-{[2-hydroxy-3-(4-morpholinyl)propyl]amino}-3-méthyl-1-oxo-2-butanyl]amino}-6-oxo-1-phényl-2-hexanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S,3S,5R)-5-benzyl-3-hydroxy-6-{[(2S)-1-{[2-hydroxy-3-(4-morpholinyl)propyl]amino}-3-methyl-1-oxo-2-butanyl]amino}-6-oxo-1-phenyl-2-hexanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-{[(2S)-1-{[2-hydroxy-3-(4-morpholinyl)propyl]amino}-3-methyl-1-oxo-2-butanyl]amino}-6-oxo-1-phenyl-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2S,4R)-2-hydroxy-5-[[(1S)-1-[[[2-hydroxy-3-(4-morpholinyl)propyl]amino]carbonyl]-2-methylpropyl]amino]-5-oxo-1,4-bis(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl [(2S,3S,5R)-5-benzyl-3-hydroxy-6-{[(2S)-1-{[2-hydroxy-3-(morpholin-4-yl)propyl]amino}-3-methyl-1-oxobutan-2-yl]amino}-6-oxo-1-phenylhexan-2-yl]carbamate
{1-Benzyl-2-hydroxy-4-[1-(2-hydroxy-3-morpholin-4-yl-propylcarbamoyl)-2-methyl-propylcarbamoyl]-5-phenyl-pentyl}-carbamic acid tert-butyl ester
N'-(2-Hydroxy-3-morpholinopropyl)-N-[5(S)-[(tert-butoxycarbonyl)amino]-4(S)-hydroxy-6-phenyl-2(R)-(phenylmethyl)hexanoyl]valine amide

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

AIDS003478 [DBID]
AIDS-003478 [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: 884.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.6±3.0 kJ/mol
Flash Point: 488.6±34.3 °C
Index of Refraction: 1.551
Molar Refractivity: 180.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 56.56
ACD/KOC (pH 5.5): 314.33
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 561.45
ACD/KOC (pH 7.4): 3120.54
Polar Surface Area: 149 Å2
Polarizability: 71.6±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 566.1±3.0 cm3

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