Found 7 results

Search term: IQKWCORIMSRQGZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[(2S,4S,5S)-5-Amino-4-hydroxy-1,6-diphenyl-2-hexanyl]-N~2~-[methyl({2-[(1,1,1,3,3,3-~2~H_6_)-2-propanyl]-1,3-thiazol-4-yl}methyl)carbamoyl]valinamide | C32H39D6N5O3S

N-[(2S,4S,5S)-5-Amino-4-hydroxy-1,6-diphenyl-2-hexanyl]-N2-[methyl({2-[(1,1,1,3,3,3-2H6)-2-propanyl]-1,3-thiazol-4-yl}methyl)carbamoyl]valinamide

  • Molecular FormulaC32H39D6N5O3S
  • Average mass585.833 Da
  • Monoisotopic mass585.362000 Da
  • ChemSpider ID107441748

  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Butanamide, N-[(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-3-methyl-2-[[[methyl[[2-[1-(methyl-d3)ethyl-2,2,2-d3]-4-thiazolyl]methyl]amino]carbonyl]amino]- [ACD/Index Name]
N-[(2S,4S,5S)-5-Amino-4-hydroxy-1,6-diphenyl-2-hexanyl]-N2-[methyl({2-[(1,1,1,3,3,3-2H6)-2-propanyl]-1,3-thiazol-4-yl}methyl)carbamoyl]valinamid [German] [ACD/IUPAC Name]
N-[(2S,4S,5S)-5-Amino-4-hydroxy-1,6-diphenyl-2-hexanyl]-N2-[methyl({2-[(1,1,1,3,3,3-2H6)-2-propanyl]-1,3-thiazol-4-yl}methyl)carbamoyl]valinamide [ACD/IUPAC Name]
N-[(2S,4S,5S)-5-Amino-4-hydroxy-1,6-diphényl-2-hexanyl]-N2-[méthyl({2-[(1,1,1,3,3,3-2H6)-2-propanyl]-1,3-thiazol-4-yl}méthyl)carbamoyl]valinamide [French] [ACD/IUPAC Name]
1217772-02-5 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 822.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 451.2±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 166.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.25
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 10.85
Polar Surface Area: 149 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 496.7±3.0 cm3

Click to predict properties on the Chemicalize site


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