ChemSpider 2D Image | N-Acetyl-L-histidyl-N-[(2S)-3-hydroxy-4-{[(8S,11S)-8-isopropyl-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}-4-oxo-1-phenyl-2-butanyl]-L-valinamide | C40H54N8O8

N-Acetyl-L-histidyl-N-[(2S)-3-hydroxy-4-{[(8S,11S)-8-isopropyl-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}-4-oxo-1-phenyl-2-butanyl]-L-valinamide

  • Molecular FormulaC40H54N8O8
  • Average mass774.906 Da
  • Monoisotopic mass774.406433 Da
  • ChemSpider ID8481464

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

L-Valinamide, N-acetyl-L-histidyl-N-[(1S)-2-hydroxy-3-[[(8S,11S)-8-(1-methylethyl)-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-13,15,16-trien-11-yl]amino]-3-oxo-1-(phenylmethyl)propyl]- [ACD/Index Name]
N-Acetyl-L-histidyl-N-[(2S)-3-hydroxy-4-{[(8S,11S)-8-isopropyl-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}-4-oxo-1-phenyl-2-butanyl]-L-valinamid [German] [ACD/IUPAC Name]
N-Acetyl-L-histidyl-N-[(2S)-3-hydroxy-4-{[(8S,11S)-8-isopropyl-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}-4-oxo-1-phenyl-2-butanyl]-L-valinamide [ACD/IUPAC Name]
N-Acétyl-L-histidyl-N-[(2S)-3-hydroxy-4-{[(8S,11S)-8-isopropyl-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadéca-1(15),13,16-trién-11-yl]amino}-4-oxo-1-phényl-2-butanyl]-L-valinamide [French] [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: 1241.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 193.8±3.0 kJ/mol
Flash Point: 704.6±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 207.3±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.39
ACD/KOC (pH 5.5): 19.99
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 18.55
ACD/KOC (pH 7.4): 267.24
Polar Surface Area: 233 Å2
Polarizability: 82.2±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 599.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement