ChemSpider 2D Image | N-{[15-(3-Carbamimidamidopropyl)-9-(carboxymethyl)-12,25-bis(4-hydroxybenzyl)-3,6-bis(1H-indol-3-ylmethyl)-1,4,7,10,13,16,20,23,26-nonaoxotriacontahydropyrrolo[1,2-g][1,4,7,10,13,16,19,22,25]nonaazacy clooctacosin-18-yl]carbonyl}leucylphenylalanylglycylglycylhistidylthreonylphenylalanylisoleucine | C105H130N24O24

N-{[15-(3-Carbamimidamidopropyl)-9-(carboxymethyl)-12,25-bis(4-hydroxybenzyl)-3,6-bis(1H-indol-3-ylmethyl)-1,4,7,10,13,16,20,23,26-nonaoxotriacontahydropyrrolo[1,2-g][1,4,7,10,13,16,19,22,25]nonaazacy clooctacosin-18-yl]carbonyl}leucylphenylalanylglycylglycylhistidylthreonylphenylalanylisoleucine

  • Molecular FormulaC105H130N24O24
  • Average mass2112.302 Da
  • Monoisotopic mass2110.968994 Da
  • ChemSpider ID78443964

More details:

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

Isoleucine, N-[[15-[3-[(aminoiminomethyl)amino]propyl]-9-(carboxymethyl)triacontahydro-12,25-bis[(4-hydroxyphenyl)methyl]-3,6-bis(1H-indol-3-ylmethyl)-1,4,7,10,13,16,20,23,26-nonaoxopyrrolo[1,2-g][1,4 ,7,10,13,16,19,22,25]nonaazacyclooctacosin-18-yl]carbonyl]leucylphenylalanylglycylglycylhistidylthreonylphenylalanyl- [ACD/Index Name]
N-{[15-(3-Carbamimidamidopropyl)-9-(carboxymethyl)-12,25-bis(4-hydroxybenzyl)-3,6-bis(1H-indol-3-ylmethyl)-1,4,7,10,13,16,20,23,26-nonaoxotriacontahydropyrrolo[1,2-g][1,4,7,10,13,16,19,22,25]nonaazacy clooctacosin-18-yl]carbonyl}leucylphenylalanylglycylglycylhistidylthreonylphenylalanylisoleucin [German] [ACD/IUPAC Name]
N-{[15-(3-Carbamimidamidopropyl)-9-(carboxymethyl)-12,25-bis(4-hydroxybenzyl)-3,6-bis(1H-indol-3-ylmethyl)-1,4,7,10,13,16,20,23,26-nonaoxotriacontahydropyrrolo[1,2-g][1,4,7,10,13,16,19,22,25]nonaazacy clooctacosin-18-yl]carbonyl}leucylphenylalanylglycylglycylhistidylthreonylphenylalanylisoleucine [ACD/IUPAC Name]
N-{[15-(3-Carbamimidamidopropyl)-9-(carboxyméthyl)-12,25-bis(4-hydroxybenzyl)-3,6-bis(1H-indol-3-ylméthyl)-1,4,7,10,13,16,20,23,26-nonaoxotriacontahydropyrrolo[1,2-g][1,4,7,10,13,16,19,22,25]nonaazacy clooctacosin-18-yl]carbonyl}leucylphénylalanylglycylglycylhistidylthréonylphénylalanylisoleucine [French] [ACD/IUPAC Name]
Propeptin-2

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.696
Molar Refractivity: 549.9±0.5 cm3
#H bond acceptors: 48
#H bond donors: 28
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: -0.06
ACD/LogD (pH 5.5): -4.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 743 Å2
Polarizability: 218.0±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 1428.9±7.0 cm3

Click to predict properties on the Chemicalize site


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