ChemSpider 2D Image | S-Benzyl-N-(4-biphenylylacetyl)-L-cysteinyl-N~5~-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)tyrosinamide | C47H55N7O5S

S-Benzyl-N-(4-biphenylylacetyl)-L-cysteinyl-N5-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)tyrosinamide

  • Molecular FormulaC47H55N7O5S
  • Average mass830.049 Da
  • Monoisotopic mass829.398560 Da
  • ChemSpider ID25057946
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

S-Benzyl-N-(4-biphenylylacetyl)-L-cysteinyl-N5-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)tyrosinamid [German] [ACD/IUPAC Name]
S-Benzyl-N-(4-biphenylylacetyl)-L-cysteinyl-N5-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)tyrosinamide [ACD/IUPAC Name]
S-Benzyl-N-(Biphenyl-4-Ylacetyl)-L-Cysteinyl-N5-(Diaminomethyl)-D-Ornithyl-N-(2-Phenylethyl)-L-Tyrosinamide
S-Benzyl-N-[2-(4-biphénylyl)acétyl]-L-cystéinyl-N5-(diaminométhyl)-D-ornithyl-N-(2-phényléthyl)tyrosinamide [French] [ACD/IUPAC Name]
Tyrosinamide, N-(2-[1,1'-biphenyl]-4-ylacetyl)-S-(phenylmethyl)-L-cysteinyl-N5-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1147.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 175.1±3.0 kJ/mol
Flash Point: 647.5±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 238.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 4
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.86
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.11
Polar Surface Area: 226 Å2
Polarizability: 94.4±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 671.1±3.0 cm3

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