ChemSpider 2D Image | (6r,8s,11s)-11-Cyclohexyl-N-(1-{[(2-{[(1s)-2-(Dimethylamino)-2-Oxo-1-Phenylethyl]amino}-2-Oxoethyl)amino](Oxo)acetyl}butyl)-10,13-Dioxo-2,5-Dioxa-9,12-Diazatricyclo[14.3.1.1~6,9~]henicosa-1(20),16,18-Triene-8-Carboxamide | C42H56N6O9

(6r,8s,11s)-11-Cyclohexyl-N-(1-{[(2-{[(1s)-2-(Dimethylamino)-2-Oxo-1-Phenylethyl]amino}-2-Oxoethyl)amino](Oxo)acetyl}butyl)-10,13-Dioxo-2,5-Dioxa-9,12-Diazatricyclo[14.3.1.16,9]henicosa-1(20),16,18-Triene-8-Carboxamide

  • Molecular FormulaC42H56N6O9
  • Average mass788.929 Da
  • Monoisotopic mass788.410889 Da
  • ChemSpider ID25059046

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6r,8s,11s)-11-Cyclohexyl-N-(1-{[(2-{[(1s)-2-(Dimethylamino)-2-Oxo-1-Phenylethyl]amino}-2-Oxoethyl)amino](Oxo)acetyl}butyl)-10,13-Dioxo-2,5-Dioxa-9,12-Diazatricyclo[14.3.1.16,9]henicosa-1(20),16,18-Triene-8-Carboxamide
(6R,8S,11S)-11-Cyclohexyl-N-{(3S)-1-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-1,2-dioxo-3-hexanyl}-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.16,9]henicosa-1(20) ,16,18-trien-8-carboxamid [German] [ACD/IUPAC Name]
(6R,8S,11S)-11-Cyclohexyl-N-{(3S)-1-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-1,2-dioxo-3-hexanyl}-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.16,9]henicosa-1(20) ,16,18-triene-8-carboxamide [ACD/IUPAC Name]
(6R,8S,11S)-11-Cyclohexyl-N-{(3S)-1-[(2-{[(1S)-2-(diméthylamino)-2-oxo-1-phényléthyl]amino}-2-oxoéthyl)amino]-1,2-dioxo-3-hexanyl}-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.16,9]hénicosa-1(20) ,16,18-triène-8-carboxamide [French] [ACD/IUPAC Name]
2,5-Dioxa-9,12-diazatricyclo[14.3.1.16,9]heneicosa-1(20),16,18-triene-8-carboxamide, 11-cyclohexyl-N-[(1S)-1-[2-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoeth yl]butyl]-10,13-dioxo-, (6R,8S,11S)- [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: 1.603
Molar Refractivity: 210.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.14
ACD/KOC (pH 5.5): 219.80
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.12
ACD/KOC (pH 7.4): 219.53
Polar Surface Area: 193 Å2
Polarizability: 83.6±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 613.3±5.0 cm3

Click to predict properties on the Chemicalize site


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