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Search term: FNMSKYFYFLZDOO-DQEYMECFSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | n-[2-[1-(n-benzyloxycarbonylamino)-3-methylbutyl]thiazol-4-ylcarbonyl]-n'-(benzyloxycarbonyl-l-leucinyl)hydrazide | C31H39N5O6S

n-[2-[1-(n-benzyloxycarbonylamino)-3-methylbutyl]thiazol-4-ylcarbonyl]-n'-(benzyloxycarbonyl-l-leucinyl)hydrazide

  • Molecular FormulaC31H39N5O6S
  • Average mass609.736 Da
  • Monoisotopic mass609.262085 Da
  • ChemSpider ID4450756

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(2S)-1-[2-({2-[(1S)-1-{[(Benzyloxy)carbonyl]amino}-3-méthylbutyl]-1,3-thiazol-4-yl}carbonyl)hydrazino]-4-méthyl-1-oxo-2-pentanyl}carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl {(2S)-1-[2-({2-[(1S)-1-{[(benzyloxy)carbonyl]amino}-3-methylbutyl]-1,3-thiazol-4-yl}carbonyl)hydrazino]-4-methyl-1-oxo-2-pentanyl}carbamate [ACD/IUPAC Name]
Benzyl-{(2S)-1-[2-({2-[(1S)-1-{[(benzyloxy)carbonyl]amino}-3-methylbutyl]-1,3-thiazol-4-yl}carbonyl)hydrazino]-4-methyl-1-oxo-2-pentanyl}carbamat [German] [ACD/IUPAC Name]
n-[2-[1-(n-benzyloxycarbonylamino)-3-methylbutyl]thiazol-4-ylcarbonyl]-n'-(benzyloxycarbonyl-l-leucinyl)hydrazide
CHEMBL57836
IN6

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

Density: 1.2±0.1 g/cm3
Boiling Point: 813.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 445.7±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 164.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 932.44
ACD/KOC (pH 5.5): 4644.61
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 915.72
ACD/KOC (pH 7.4): 4561.29
Polar Surface Area: 176 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 497.2±3.0 cm3

Click to predict properties on the Chemicalize site


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