ChemSpider 2D Image | (1R,5S)-N-(4-Amino-1-cyclopropyl-3,4-dioxo-2-butanyl)-3-(N-{[(2S)-1-(1,1-dioxidothieno[2,3-d][1,2]thiazol-2(3H)-yl)-3,3-dimethyl-2-butanyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0] hexane-2-carboxamide | C33H50N6O7S2

(1R,5S)-N-(4-Amino-1-cyclopropyl-3,4-dioxo-2-butanyl)-3-(N-{[(2S)-1-(1,1-dioxidothieno[2,3-d][1,2]thiazol-2(3H)-yl)-3,3-dimethyl-2-butanyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0] hexane-2-carboxamide

  • Molecular FormulaC33H50N6O7S2
  • Average mass706.916 Da
  • Monoisotopic mass706.318237 Da
  • ChemSpider ID9861003

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1R,5S)-N-(4-Amino-1-cyclopropyl-3,4-dioxo-2-butanyl)-3-(N-{[(2S)-1-(1,1-dioxidothieno[2,3-d][1,2]thiazol-2(3H)-yl)-3,3-dimethyl-2-butanyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0] hexan-2-carboxamid [German] [ACD/IUPAC Name]
(1R,5S)-N-(4-Amino-1-cyclopropyl-3,4-dioxo-2-butanyl)-3-(N-{[(2S)-1-(1,1-dioxidothieno[2,3-d][1,2]thiazol-2(3H)-yl)-3,3-dimethyl-2-butanyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0] hexane-2-carboxamide [ACD/IUPAC Name]
(1R,5S)-N-(4-Amino-1-cyclopropyl-3,4-dioxo-2-butanyl)-3-(N-{[(2S)-1-(1,1-dioxydothiéno[2,3-d][1,2]thiazol-2(3H)-yl)-3,3-diméthyl-2-butanyl]carbamoyl}-3-méthyl-L-valyl)-6,6-diméthyl-3-azabicyclo[3.1.0] hexane-2-carboxamide [French] [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[3-amino-1-(cyclopropylmethyl)-2,3-dioxopropyl]-3-[(2S)-2-[[[[(1S)-1-[(1,1-dioxidothieno[2,3-d]isothiazol-2(3H)-yl)methyl]-2,2-dimethylpropyl]amino]carbonyl] amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-, (1R,5S)- [ACD/Index 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: 1.586
Molar Refractivity: 182.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.63
ACD/KOC (pH 5.5): 1283.60
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 154.63
ACD/KOC (pH 7.4): 1283.58
Polar Surface Area: 225 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 544.2±3.0 cm3

Click to predict properties on the Chemicalize site


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