ChemSpider 2D Image | N-[(2S)-4-Amino-2-(benzoylamino)butanoyl]-L-norvalyl-N-{3-[(4-nitrobenzyl)carbamoyl]phenyl}-L-threoninamide | C34H41N7O8

N-[(2S)-4-Amino-2-(benzoylamino)butanoyl]-L-norvalyl-N-{3-[(4-nitrobenzyl)carbamoyl]phenyl}-L-threoninamide

  • Molecular FormulaC34H41N7O8
  • Average mass675.731 Da
  • Monoisotopic mass675.301636 Da
  • ChemSpider ID9203970
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

L-Threoninamide, N-[(2S)-4-amino-2-(benzoylamino)-1-oxobutyl]-L-norvalyl-N-[3-[[[(4-nitrophenyl)methyl]amino]carbonyl]phenyl]- [ACD/Index Name]
N-[(2S)-4-Amino-2-(benzoylamino)butanoyl]-L-norvalyl-N-{3-[(4-nitrobenzyl)carbamoyl]phenyl}-L-threoninamid [German] [ACD/IUPAC Name]
N-[(2S)-4-Amino-2-(benzoylamino)butanoyl]-L-norvalyl-N-{3-[(4-nitrobenzyl)carbamoyl]phenyl}-L-threoninamide [ACD/IUPAC Name]
N-[(2S)-4-Amino-2-(benzoylamino)butanoyl]-L-norvalyl-N-{3-[(4-nitrobenzyl)carbamoyl]phényl}-L-thréoninamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 1083.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 166.5±3.0 kJ/mol
Flash Point: 609.0±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 181.5±0.3 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 3.81
ACD/LogD (pH 5.5): -1.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.02
Polar Surface Area: 238 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 516.3±3.0 cm3

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