ChemSpider 2D Image | tert-butyl {(1S)-2-[(1R,2S,5S)-2-({1-[(2-amino-2-oxoethyl)amino]-1,2-dioxohexan-3-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate | C29H47N5O7

tert-butyl {(1S)-2-[(1R,2S,5S)-2-({1-[(2-amino-2-oxoethyl)amino]-1,2-dioxohexan-3-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate

  • Molecular FormulaC29H47N5O7
  • Average mass577.713 Da
  • Monoisotopic mass577.347534 Da
  • ChemSpider ID17245786

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

{(1S)-2-[(1R,2S,5S)-2-({1-[(2-Amino-2-oxoéthyl)amino]-1,2-dioxo-3-hexanyl}carbamoyl)-6,6-diméthyl-3-azabicyclo[3.1.0]hex-3-yl]-1-cyclohexyl-2-oxoéthyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(1S)-2-[(1R,2S,5S)-2-({1-[(2-amino-2-oxoethyl)amino]-1,2-dioxo-3-hexanyl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(1S)-2-[(1R,2S,5S)-2-({1-[(2-amino-2-oxoethyl)amino]-1,2-dioxo-3-hexanyl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-1-cyclohexyl-2-oxoethyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-[(1R,2S,5S)-2-[[[1-[2-[(2-amino-2-oxoethyl)amino]-1,2-dioxoethyl]butyl]amino]carbonyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-1-cyclohexyl-2-oxoethyl]-, 1,1-dimethylethyl e ster [ACD/Index Name]
carbamic acid, N-[(1S)-2-[(1R,2S,5S)-2-[[[1-[2-[(2-amino-2-oxoethyl)amino]-1,2-dioxoethyl]butyl]amino]carbonyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-1-cyclohexyl-2-oxoethyl]-, 1,1-dimethylethyl ester
tert-butyl {(1S)-2-[(1R,2S,5S)-2-({1-[(2-amino-2-oxoethyl)amino]-1,2-dioxohexan-3-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate
1,1-dimethylethyl-[2-[2(S)-[[[1-[2-[(2-amino-2-oxoethyl)amino]-1,2-dioxoethyl]butyl]amino]carbonyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamates
SCH 503034 Analogue 30

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.532
Molar Refractivity: 149.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.67
ACD/KOC (pH 5.5): 458.24
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.66
ACD/KOC (pH 7.4): 458.13
Polar Surface Area: 177 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 483.4±3.0 cm3

Click to predict properties on the Chemicalize site


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