ChemSpider 2D Image | Benzyl [5-(5-{(1S)-2-(benzyloxy)-1-[(2-methylalanyl)amino]ethyl}-1H-tetrazol-1-yl)pentyl]carbamate | C27H37N7O4

Benzyl [5-(5-{(1S)-2-(benzyloxy)-1-[(2-methylalanyl)amino]ethyl}-1H-tetrazol-1-yl)pentyl]carbamate

  • Molecular FormulaC27H37N7O4
  • Average mass523.627 Da
  • Monoisotopic mass523.290710 Da
  • ChemSpider ID23296670

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[5-(5-{(1S)-2-(Benzyloxy)-1-[(2-méthylalanyl)amino]éthyl}-1H-tétrazol-1-yl)pentyl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [5-(5-{(1S)-2-(benzyloxy)-1-[(2-methylalanyl)amino]ethyl}-1H-tetrazol-1-yl)pentyl]carbamate [ACD/IUPAC Name]
Benzyl-[5-(5-{(1S)-2-(benzyloxy)-1-[(2-methylalanyl)amino]ethyl}-1H-tetrazol-1-yl)pentyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[5-[5-[(1S)-1-[(2-amino-2-methyl-1-oxopropyl)amino]-2-(phenylmethoxy)ethyl]-1H-tetrazol-1-yl]pentyl]-, phenylmethyl ester [ACD/Index Name]
(S)-benzyl 5-(5-(1-(2-amino-2-methylpropanamido)-2-(benzyloxy)ethyl)-1H-tetrazol-1-yl)pentylcarbamate
CHEMBL237926

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

Density: 1.2±0.1 g/cm3
Boiling Point: 787.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 429.8±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 145.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.65
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 22.29
ACD/KOC (pH 7.4): 247.81
Polar Surface Area: 146 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 423.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement