ChemSpider 2D Image | (5S,8S)-7-{(2S)-2-[(Cyclohexylacetyl)amino]-3,3-dimethylbutanoyl}-N-[(2S)-1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxo-2-butanyl]-3-(4-methoxy-3,5-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8- carboxamide (non-preferred name) | C40H57N5O7

(5S,8S)-7-{(2S)-2-[(Cyclohexylacetyl)amino]-3,3-dimethylbutanoyl}-N-[(2S)-1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxo-2-butanyl]-3-(4-methoxy-3,5-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8- carboxamide (non-preferred name)

  • Molecular FormulaC40H57N5O7
  • Average mass719.910 Da
  • Monoisotopic mass719.425781 Da
  • ChemSpider ID34544835

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5S,8S)-7-{(2S)-2-[(2-Cyclohexylacétyl)amino]-3,3-diméthylbutanoyl}-N-[(2S)-1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxo-2-butanyl]-3-(4-méthoxy-3,5-diméthylphényl)-1-oxa-2,7-diazaspiro[4.4]non-2-ène- 8-carboxamide (non-preferred name) [French] [ACD/IUPAC Name]
(5S,8S)-7-{(2S)-2-[(Cyclohexylacetyl)amino]-3,3-dimethylbutanoyl}-N-[(2S)-1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxo-2-butanyl]-3-(4-methoxy-3,5-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-8-c arboxamid (non-preferred name) [German] [ACD/IUPAC Name]
(5S,8S)-7-{(2S)-2-[(Cyclohexylacetyl)amino]-3,3-dimethylbutanoyl}-N-[(2S)-1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxo-2-butanyl]-3-(4-methoxy-3,5-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8- carboxamide (non-preferred name) [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 194.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.43
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 156 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 538.2±7.0 cm3

Click to predict properties on the Chemicalize site


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