ChemSpider 2D Image | 2-{[(1-{[2-(2-{[2-({[({1-[(1-{2-[(2-Amino-5-carbamimidamidopentanoyl)amino]-5-carbamimidamidopentanoyl}-2-pyrrolidinyl)carbonyl]-4-hydroxy-2-pyrrolidinyl}carbonyl)amino]acetyl}amino)-3-(2-thienyl)prop anoyl]amino}-3-hydroxypropanoyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}octahydro-1H-indol-2-yl)carbonyl]amino}-5-carbamimidamidopentanoic acid | C59H89N19O13S

2-{[(1-{[2-(2-{[2-({[({1-[(1-{2-[(2-Amino-5-carbamimidamidopentanoyl)amino]-5-carbamimidamidopentanoyl}-2-pyrrolidinyl)carbonyl]-4-hydroxy-2-pyrrolidinyl}carbonyl)amino]acetyl}amino)-3-(2-thienyl)prop anoyl]amino}-3-hydroxypropanoyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}octahydro-1H-indol-2-yl)carbonyl]amino}-5-carbamimidamidopentanoic acid

  • Molecular FormulaC59H89N19O13S
  • Average mass1304.522 Da
  • Monoisotopic mass1303.660767 Da
  • ChemSpider ID10709890

More details:

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

2-{[(1-{[2-(2-{[2-({[({1-[(1-{2-[(2-Amino-5-carbamimidamidopentanoyl)amino]-5-carbamimidamidopentanoyl}-2-pyrrolidinyl)carbonyl]-4-hydroxy-2-pyrrolidinyl}carbonyl)amino]acetyl}amino)-3-(2-thienyl)prop anoyl]amino}-3-hydroxypropanoyl)-1,2,3,4-tetrahydro-3-isochinolinyl]carbonyl}octahydro-1H-indol-2-yl)carbonyl]amino}-5-carbamimidamidopentansäure [German] [ACD/IUPAC Name]
2-{[(1-{[2-(2-{[2-({[({1-[(1-{2-[(2-Amino-5-carbamimidamidopentanoyl)amino]-5-carbamimidamidopentanoyl}-2-pyrrolidinyl)carbonyl]-4-hydroxy-2-pyrrolidinyl}carbonyl)amino]acetyl}amino)-3-(2-thienyl)prop anoyl]amino}-3-hydroxypropanoyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}octahydro-1H-indol-2-yl)carbonyl]amino}-5-carbamimidamidopentanoic acid [ACD/IUPAC Name]
Acide 2-{[(1-{[2-(2-{[2-({2-[({1-[(1-{2-[(2-amino-5-carbamimidamidopentanoyl)amino]-5-carbamimidamidopentanoyl}-2-pyrrolidinyl)carbonyl]-4-hydroxy-2-pyrrolidinyl}carbonyl)amino]acétyl}amino)-3-(2-thié nyl)propanoyl]amino}-3-hydroxypropanoyl)-1,2,3,4-tétrahydro-3-isoquinoléinyl]carbonyl}octahydro-1H-indol-2-yl)carbonyl]amino}-5-carbamimidamidopentanoïque [French] [ACD/IUPAC Name]

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: 1.742
Molar Refractivity: 329.2±0.5 cm3
#H bond acceptors: 32
#H bond donors: 22
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 3
ACD/LogP: -2.63
ACD/LogD (pH 5.5): -8.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 544 Å2
Polarizability: 130.5±0.5 10-24cm3
Surface Tension: 77.6±7.0 dyne/cm
Molar Volume: 814.3±7.0 cm3

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