ChemSpider 2D Image | N-{[10-(2-Amino-2-oxoethyl)-22-[(1R)-1-hydroxyethyl]-16-(1H-imidazol-4-ylmethyl)-13-(1H-indol-3-ylmethyl)-25-methyl-1,5,8,11,14,17,20,23,26-nonaoxotriacontahydropyrrolo[2,1-c][1,4,7,10,13,16,19,22,25] nonaazacyclooctacosin-3-yl]carbonyl}tryptophylphenylalanylphenylalanylasparaginyltyrosyltyrosyl-7-hydroxytryptophan | C103H115N23O24

N-{[10-(2-Amino-2-oxoethyl)-22-[(1R)-1-hydroxyethyl]-16-(1H-imidazol-4-ylmethyl)-13-(1H-indol-3-ylmethyl)-25-methyl-1,5,8,11,14,17,20,23,26-nonaoxotriacontahydropyrrolo[2,1-c][1,4,7,10,13,16,19,22,25] nonaazacyclooctacosin-3-yl]carbonyl}tryptophylphenylalanylphenylalanylasparaginyltyrosyltyrosyl-7-hydroxytryptophan

  • Molecular FormulaC103H115N23O24
  • Average mass2059.155 Da
  • Monoisotopic mass2057.848633 Da
  • ChemSpider ID78445087

  • defined stereocentres - 1 of 15 defined stereocentres

More details:

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

N-{[10-(2-Amino-2-oxoethyl)-22-[(1R)-1-hydroxyethyl]-16-(1H-imidazol-4-ylmethyl)-13-(1H-indol-3-ylmethyl)-25-methyl-1,5,8,11,14,17,20,23,26-nonaoxotriacontahydropyrrolo[2,1-c][1,4,7,10,13,16,19,22,25] nonaazacyclooctacosin-3-yl]carbonyl}tryptophylphenylalanylphenylalanylasparaginyltyrosyltyrosyl-7-hydroxytryptophan [German] [ACD/IUPAC Name]
N-{[10-(2-Amino-2-oxoethyl)-22-[(1R)-1-hydroxyethyl]-16-(1H-imidazol-4-ylmethyl)-13-(1H-indol-3-ylmethyl)-25-methyl-1,5,8,11,14,17,20,23,26-nonaoxotriacontahydropyrrolo[2,1-c][1,4,7,10,13,16,19,22,25] nonaazacyclooctacosin-3-yl]carbonyl}tryptophylphenylalanylphenylalanylasparaginyltyrosyltyrosyl-7-hydroxytryptophan [ACD/IUPAC Name]
N-{[10-(2-Amino-2-oxoéthyl)-22-[(1R)-1-hydroxyéthyl]-16-(1H-imidazol-4-ylméthyl)-13-(1H-indol-3-ylméthyl)-25-méthyl-1,5,8,11,14,17,20,23,26-nonaoxotriacontahydropyrrolo[2,1-c][1,4,7,10,13,16,19,22,25] nonaazacyclooctacosin-3-yl]carbonyl}tryptophylphénylalanylphénylalanylasparaginyltyrosyltyrosyl-7-hydroxytryptophane [French] [ACD/IUPAC Name]
Tryptophan, N-[[10-(2-amino-2-oxoethyl)triacontahydro-22-[(1R)-1-hydroxyethyl]-16-(1H-imidazol-4-ylmethyl)-13-(1H-indol-3-ylmethyl)-25-methyl-1,5,8,11,14,17,20,23,26-nonaoxopyrrolo[2,1-c][1,4,7,10,13, 16,19,22,25]nonaazacyclooctacosin-3-yl]carbonyl]tryptophylphenylalanylphenylalanylasparaginyltyrosyltyrosyl-7-hydroxy- [ACD/Index Name]
RES-701-2

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: 1.729
Molar Refractivity: 538.1±0.4 cm3
#H bond acceptors: 47
#H bond donors: 28
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: -2.21
ACD/LogD (pH 5.5): -5.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 737 Å2
Polarizability: 213.3±0.5 10-24cm3
Surface Tension: 99.0±5.0 dyne/cm
Molar Volume: 1350.0±5.0 cm3

Click to predict properties on the Chemicalize site


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