ChemSpider 2D Image | 1-(52-{[25-Amino-20-{[(1-{2-[(2-amino-3-hydroxybutanoyl)amino]propanoyl}-2-pyrrolidinyl)carbonyl]amino}-8,11-bis(3-carbamimidamidopropyl)-2,5,17-tris(hydroxymethyl)-25-imino-14-isobutyl-4,7,10,13,16,1 9-hexaoxo-3,6,9,12,15,18,24-heptaazapentacosan-1-oyl]amino}-19-(3-amino-3-oxopropyl)-49-benzyl-28-sec-butyl-31,40-bis(3-carbamimidamidopropyl)-34-(carboxymethyl)-16-(hydroxymethyl)-10-isobutyl-22-meth yl-37-[2-(methylsulfanyl)ethyl]-6,9,12,15,18 | C145H234N52O44S3

1-(52-{[25-Amino-20-{[(1-{2-[(2-amino-3-hydroxybutanoyl)amino]propanoyl}-2-pyrrolidinyl)carbonyl]amino}-8,11-bis(3-carbamimidamidopropyl)-2,5,17-tris(hydroxymethyl)-25-imino-14-isobutyl-4,7,10,13,16,1 9-hexaoxo-3,6,9,12,15,18,24-heptaazapentacosan-1-oyl]amino}-19-(3-amino-3-oxopropyl)-49-benzyl-28-sec-butyl-31,40-bis(3-carbamimidamidopropyl)-34-(carboxymethyl)-16-(hydroxymethyl)-10-isobutyl-22-meth yl-37-[2-(methylsulfanyl)ethyl]-6,9,12,15,18

  • Molecular FormulaC145H234N52O44S3
  • Average mass3505.927 Da
  • Monoisotopic mass3503.683350 Da
  • ChemSpider ID29786141

More details:

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

1-(52-{[25-Amino-20-{[(1-{2-[(2-amino-3-hydroxybutanoyl)amino]propanoyl}-2-pyrrolidinyl)carbonyl]amino}-8,11-bis(3-carbamimidamidopropyl)-2,5,17-tris(hydroxymethyl)-25-imino-14-isobutyl-4,7,10,13,16,1 9-hexaoxo-3,6,9,12,15,18,24-heptaazapentacosan-1-oyl]amino}-19-(3-amino-3-oxopropyl)-49-benzyl-28-sec-butyl-31,40-bis(3-carbamimidamidopropyl)-34-(carboxymethyl)-16-(hydroxymethyl)-10-isobutyl-22-meth yl-37-[2-(methylsulfanyl)ethyl]-6,9,12,15,18 [ACD/IUPAC Name]
1-(52-{[25-Amino-20-{[(1-{2-[(2-amino-3-hydroxybutanoyl)amino]propanoyl}-2-pyrrolidinyl)carbonyl]amino}-8,11-bis(3-carbamimidamidopropyl)-2,5,17-tris(hydroxymethyl)-25-imino-14-isobutyl-4,7,10,13,16,1 9-hexaoxo-3,6,9,12,15,18,24-heptaazapentacosan-1-oyl]amino}-19-(3-amino-3-oxopropyl)-49-benzyl-28-sec-butyl-31,40-bis(3-carbamimidamidopropyl)-34-(carboxymethyl)-16-(hydroxymethyl)-10-isobutyl-22-meth yl-37-[2-(methylsulfanyl)ethyl]-6,9,12,15,18 [German] [ACD/IUPAC Name]
Acide 1-(52-{[25-amino-20-{[(1-{2-[(2-amino-3-hydroxybutanoyl)amino]propanoyl}-2-pyrrolidinyl)carbonyl]amino}-8,11-bis(3-carbamimidamidopropyl)-2,5,17-tris(hydroxyméthyl)-25-imino-14-isobutyl-4,7,10,1 3,16,19-hexaoxo-3,6,9,12,15,18,24-heptaazapentacosan-1-oyl]amino}-19-(3-amino-3-oxopropyl)-49-benzyl-28-sec-butyl-31,40-bis(3-carbamimidamidopropyl)-34-(carboxyméthyl)-16-(hydroxyméthyl)-10-isobutyl-2 2-méthyl-37-[2-(méthylsulfanyl)éthyl]-6,9,12 [French] [ACD/IUPAC Name]
Serinamide, threonylalanylprolylarginylserylleucylarginylarginylseryl-N-[4-[17-amino-3-(2-amino-2-oxoethyl)-12-[[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]carbonyl]-6-(hydroxymethyl)-17-imino-1,4,7,10 -tetraoxo-9-(phenylmethyl)-2,5,8,11,16-pentaazaheptadec-1-yl]-31,40-bis[3-[(aminoiminomethyl)amino]propyl]-19-(3-amino-3-oxopropyl)-34-(carboxymethyl)-16-(hydroxymethyl)-22-methyl-28-(1-methylpropyl)- 10-(2-methylpropyl)-37-[2-(methylthio)ethyl] [ACD/Index Name]
115966-23-9 [RN]
Urodilatin

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.692
Molar Refractivity: 859.8±0.5 cm3
#H bond acceptors: 96
#H bond donors: 69
#Freely Rotating Bonds: 88
#Rule of 5 Violations: 3
ACD/LogP: -16.35
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 1669 Å2
Polarizability: 340.9±0.5 10-24cm3
Surface Tension: 72.8±7.0 dyne/cm
Molar Volume: 2244.1±7.0 cm3

Click to predict properties on the Chemicalize site


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