ChemSpider 2D Image | Zyklophin | C65H96N20O13

Zyklophin

  • Molecular FormulaC65H96N20O13
  • Average mass1365.584 Da
  • Monoisotopic mass1364.746582 Da
  • ChemSpider ID30844961
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

L-Phenylalaninamide, N-(phenylmethyl)-L-tyrosylglycylglycyl-N-[(3S,6S,9S,12S)-3-[[[(1S)-1-[[(2S)-2-[[[(1S)-5-amino-1-(aminocarbonyl)pentyl]amino]carbonyl]-1-pyrrolidinyl]carbonyl]-4-[(aminoiminomethyl )amino]butyl]amino]carbonyl]-9-[3-[(aminoiminomethyl)amino]propyl]-6-[(1S)-1-methylpropyl]-5,8,11,14-tetraoxo-1,4,7,10-tetraazacyclotetradec-12-yl]- [ACD/Index Name]
N-Benzyl-L-tyrosylglycylglycyl-N-[(3S,6S,9S,12S)-6-[(2S)-2-butanyl]-3-({(2S)-5-carbamimidamido-1-[(2S)-2-{[(2S)-1,6-diamino-1-oxo-2-hexanyl]carbamoyl}-1-pyrrolidinyl]-1-oxo-2-pentanyl}carbamoyl)-9-(3- carbamimidamidopropyl)-5,8,11,14-tetraoxo-1,4,7,10-tetraazacyclotetradecan-12-yl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-Benzyl-L-tyrosylglycylglycyl-N-[(3S,6S,9S,12S)-6-[(2S)-2-butanyl]-3-({(2S)-5-carbamimidamido-1-[(2S)-2-{[(2S)-1,6-diamino-1-oxo-2-hexanyl]carbamoyl}-1-pyrrolidinyl]-1-oxo-2-pentanyl}carbamoyl)-9-(3- carbamimidamidopropyl)-5,8,11,14-tetraoxo-1,4,7,10-tetraazacyclotetradecan-12-yl]-L-phenylalaninamide [ACD/IUPAC Name]
N-Benzyl-L-tyrosylglycylglycyl-N-[(3S,6S,9S,12S)-6-[(2S)-2-butanyl]-3-({(2S)-5-carbamimidamido-1-[(2S)-2-{[(2S)-1,6-diamino-1-oxo-2-hexanyl]carbamoyl}-1-pyrrolidinyl]-1-oxo-2-pentanyl}carbamoyl)-9-(3- carbamimidamidopropyl)-5,8,11,14-tétraoxo-1,4,7,10-tétraazacyclotétradécan-12-yl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
Zyklophin [Wiki]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 355.2±0.5 cm3
#H bond acceptors: 33
#H bond donors: 24
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 3
ACD/LogP: -1.71
ACD/LogD (pH 5.5): -9.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 536 Å2
Polarizability: 140.8±0.5 10-24cm3
Surface Tension: 64.9±7.0 dyne/cm
Molar Volume: 945.4±7.0 cm3

Click to predict properties on the Chemicalize site





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