ChemSpider 2D Image | N-{(3S)-7-Amino-2-oxo-1-[(3-phenylpropyl)sulfanyl]-3-heptanyl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide | C30H43N3O4S

N-{(3S)-7-Amino-2-oxo-1-[(3-phenylpropyl)sulfanyl]-3-heptanyl}-N2-[(benzyloxy)carbonyl]-L-leucinamide

  • Molecular FormulaC30H43N3O4S
  • Average mass541.745 Da
  • Monoisotopic mass541.297424 Da
  • ChemSpider ID9459134

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-1-[[[(1S)-5-amino-1-[2-[(3-phenylpropyl)thio]acetyl]pentyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester [ACD/Index Name]
N-{(3S)-7-Amino-2-oxo-1-[(3-phenylpropyl)sulfanyl]-3-heptanyl}-N2-[(benzyloxy)carbonyl]-L-leucinamid [German] [ACD/IUPAC Name]
N-{(3S)-7-Amino-2-oxo-1-[(3-phenylpropyl)sulfanyl]-3-heptanyl}-N2-[(benzyloxy)carbonyl]-L-leucinamide [ACD/IUPAC Name]
N-{(3S)-7-Amino-2-oxo-1-[(3-phénylpropyl)sulfanyl]-3-heptanyl}-N2-[(benzyloxy)carbonyl]-L-leucinamide [French] [ACD/IUPAC Name]
Mercaptomethyl ketone Inhibitor, 49

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

Density: 1.1±0.1 g/cm3
Boiling Point: 749.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 407.1±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 154.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 3.24
ACD/KOC (pH 5.5): 10.67
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 7.28
ACD/KOC (pH 7.4): 23.98
Polar Surface Area: 136 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 481.2±3.0 cm3

Click to predict properties on the Chemicalize site


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