ChemSpider 2D Image | benzoyl-arginine-alanine-methyl ketone | C18H29N5O4

benzoyl-arginine-alanine-methyl ketone

  • Molecular FormulaC18H29N5O4
  • Average mass379.454 Da
  • Monoisotopic mass379.221954 Da
  • ChemSpider ID16744266

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2S)-5-[(Diaminométhyl)amino]-1-oxo-1-{[(2S)-3-oxo-2-butanyl]amino}-2-pentanyl]carbamate de benzyle [French] [ACD/IUPAC Name]
1033745-37-7 [RN]
benzoyl-arginine-alanine-methyl ketone
Benzyl [(2S)-5-[(diaminomethyl)amino]-1-oxo-1-{[(2S)-3-oxo-2-butanyl]amino}-2-pentanyl]carbamate [ACD/IUPAC Name]
Benzyl-[(2S)-5-[(diaminomethyl)amino]-1-oxo-1-{[(2S)-3-oxo-2-butanyl]amino}-2-pentanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-4-[(diaminomethyl)amino]-1-[[[(1S)-1-methyl-2-oxopropyl]amino]carbonyl]butyl]-, phenylmethyl ester [ACD/Index Name]
Phenylmethyl N-[(1S)-4-[(diaminomethyl)amino]-1-[[[(1S)-1-methyl-2-oxopropyl]amino]carbonyl]butyl]carbamate
22756-84-9 [RN]
benzyl N-[(1S)-4-[(diaminomethyl)amino]-1-{[(2S)-3-oxobutan-2-yl]carbamoyl}butyl]carbamate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 628.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 334.1±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 1.17
ACD/LogD (pH 5.5): -3.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 320.0±3.0 cm3

Click to predict properties on the Chemicalize site


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