Found 1 result

Search term: KYCUIZHPGSKLBL-QCCKNLFTSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{[5-(Dimethylamino)-1-naphthyl]sulfonyl}-D-phenylalanyl-N-[(4S,5S,7S)-5-hydroxy-2,8-dimethyl-7-({(2S,3S)-3-methyl-1-oxo-1-[(2-pyridinylmethyl)amino]-2-pentanyl}carbamoyl)-4-nonanyl]-L-histidinamide | C51H69N9O7S

N-{[5-(Dimethylamino)-1-naphthyl]sulfonyl}-D-phenylalanyl-N-[(4S,5S,7S)-5-hydroxy-2,8-dimethyl-7-({(2S,3S)-3-methyl-1-oxo-1-[(2-pyridinylmethyl)amino]-2-pentanyl}carbamoyl)-4-nonanyl]-L-histidinamide

  • Molecular FormulaC51H69N9O7S
  • Average mass952.215 Da
  • Monoisotopic mass951.504089 Da
  • ChemSpider ID26638013

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

L-Histidinamide, N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-D-phenylalanyl-N-[(1S,2S,4S)-2-hydroxy-5-methyl-1-(2-methylpropyl)-4-[[[(1S,2S)-2-methyl-1-[[(2-pyridinylmethyl)amino]carbonyl]butyl]ami no]carbonyl]hexyl]- [ACD/Index Name]
N-{[5-(Dimethylamino)-1-naphthyl]sulfonyl}-D-phenylalanyl-N-[(4S,5S,7S)-5-hydroxy-2,8-dimethyl-7-({(2S,3S)-3-methyl-1-oxo-1-[(2-pyridinylmethyl)amino]-2-pentanyl}carbamoyl)-4-nonanyl]-L-histidinamid [German] [ACD/IUPAC Name]
N-{[5-(Dimethylamino)-1-naphthyl]sulfonyl}-D-phenylalanyl-N-[(4S,5S,7S)-5-hydroxy-2,8-dimethyl-7-({(2S,3S)-3-methyl-1-oxo-1-[(2-pyridinylmethyl)amino]-2-pentanyl}carbamoyl)-4-nonanyl]-L-histidinamide [ACD/IUPAC Name]
N-{[5-(Diméthylamino)-1-naphtyl]sulfonyl}-D-phénylalanyl-N-[(4S,5S,7S)-5-hydroxy-2,8-diméthyl-7-({(2S,3S)-3-méthyl-1-oxo-1-[(2-pyridinylméthyl)amino]-2-pentanyl}carbamoyl)-4-nonanyl]-L-histidinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 265.7±0.4 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 4
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 263.45
ACD/KOC (pH 5.5): 843.44
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3678.15
ACD/KOC (pH 7.4): 11775.56
Polar Surface Area: 236 Å2
Polarizability: 105.3±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 779.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement