ChemSpider 2D Image | 3-[(1H-Tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-{(2R)-2-[(3-carboxyphenyl)carbamoyl]-2-hydroxy-4-phenylbutyl}-L-leucinamide | C34H46N10O8

3-[(1H-Tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-{(2R)-2-[(3-carboxyphenyl)carbamoyl]-2-hydroxy-4-phenylbutyl}-L-leucinamide

  • Molecular FormulaC34H46N10O8
  • Average mass722.791 Da
  • Monoisotopic mass722.350037 Da
  • ChemSpider ID25057763
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

3-[(1H-Tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-{(2R)-2-[(3-carboxyphenyl)carbamoyl]-2-hydroxy-4-phenylbutyl}-L-leucinamid [German] [ACD/IUPAC Name]
3-[(1H-Tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-{(2R)-2-[(3-carboxyphenyl)carbamoyl]-2-hydroxy-4-phenylbutyl}-L-leucinamide [ACD/IUPAC Name]
3-[(1H-Tétrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-{(2R)-2-[(3-carboxyphényl)carbamoyl]-2-hydroxy-4-phénylbutyl}-L-leucinamide [French] [ACD/IUPAC Name]
3-[[(2s)-2-[[[(2s)-2-[[(2s)-2-[[(2s)-2-Azanyl-3-(1h-1,2,3,4-Tetrazol-5-Ylcarbonylamino)propanoyl]amino]-3-Methyl-Butanoyl]amino]-4-Methyl-Pentanoyl]amino]methyl]-2-Hydroxy-4-Phenyl-Butanoyl]amino]benzoic Acid
L-Leucinamide, 3-[(1H-tetrazol-5-ylcarbonyl)amino]-L-alanyl-L-valyl-N-[(2R)-2-[[(3-carboxyphenyl)amino]carbonyl]-2-hydroxy-4-phenylbutyl]- [ACD/Index Name]
038

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 188.3±0.3 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 3.85
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 284 Å2
Polarizability: 74.7±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 540.0±3.0 cm3

Click to predict properties on the Chemicalize site






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