ChemSpider 2D Image | tert-butyl [(2S,3S,5R)-6-{[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino}-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate | C33H47N3O5

tert-butyl [(2S,3S,5R)-6-{[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino}-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate

  • Molecular FormulaC33H47N3O5
  • Average mass565.743 Da
  • Monoisotopic mass565.351563 Da
  • ChemSpider ID4586213

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2S,3S,5R)-6-{[(2S)-1-Amino-3-cyclohexyl-1-oxo-2-propanyl]amino}-5-benzyl-3-hydroxy-6-oxo-1-phényl-2-hexanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S,3S,5R)-6-{[(2S)-1-amino-3-cyclohexyl-1-oxo-2-propanyl]amino}-5-benzyl-3-hydroxy-6-oxo-1-phenyl-2-hexanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,3S,5R)-6-{[(2S)-1-amino-3-cyclohexyl-1-oxo-2-propanyl]amino}-5-benzyl-3-hydroxy-6-oxo-1-phenyl-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2S,4R)-5-[[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxoethyl]amino]-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl [(2S,3S,5R)-6-{[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino}-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate
[1-Benzyl-4-(1-carbamoyl-2-cyclohexyl-ethylcarbamoyl)-2-hydroxy-5-phenyl-pentyl]-carbamic acid tert-butyl ester
L-682, 679 analog 20
N-[5(S)-[(tert-Butoxycarbonyl)amino]-4(S)-hydroxy-6-phenyl-2(R)-(phenylmethyl)hexanoyl]cyclohexylalanine amide

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

AIDS003453 [DBID]
AIDS-003453 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 819.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 449.4±34.3 °C
Index of Refraction: 1.556
Molar Refractivity: 160.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6574.38
ACD/KOC (pH 5.5): 18810.99
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6574.19
ACD/KOC (pH 7.4): 18810.46
Polar Surface Area: 131 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 498.1±3.0 cm3

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