ChemSpider 2D Image | 10-(4-Aminobutyl)-N-[1-amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-16-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-7-isopropyl-6,9,12,15,18-pentaoxo-19-(phenylalanylamino)-1,2-dithia-5,8,11,14,17-pentaaza
cycloicosane-4-carboxamide | C57H70N12O9S2

10-(4-Aminobutyl)-N-[1-amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-16-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-7-isopropyl-6,9,12,15,18-pentaoxo-19-(phenylalanylamino)-1,2-dithia-5,8,11,14,17-pentaaza cycloicosane-4-carboxamide

  • Molecular FormulaC57H70N12O9S2
  • Average mass1131.371 Da
  • Monoisotopic mass1130.483032 Da
  • ChemSpider ID64425

More details:






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

10-(4-Aminobutyl)-N-[1-amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-16-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-7-isopropyl-6,9,12,15,18-pentaoxo-19-(phenylalanylamino)-1,2-dithia-5,8,11,14,17-pentaaza cycloicosan-4-carboxamid [German] [ACD/IUPAC Name]
10-(4-Aminobutyl)-N-[1-amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-16-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-7-isopropyl-6,9,12,15,18-pentaoxo-19-(phenylalanylamino)-1,2-dithia-5,8,11,14,17-pentaaza cycloicosane-4-carboxamide [ACD/IUPAC Name]
10-(4-Aminobutyl)-N-[1-amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-16-(4-hydroxybenzyl)-13-(1H-indol-3-ylméthyl)-7-isopropyl-6,9,12,15,18-pentaoxo-19-(phénylalanylamino)-1,2-dithia-5,8,11,14,17-pentaaza cycloicosane-4-carboxamide [French] [ACD/IUPAC Name]
1H-Indole-3-propanamide, α-[[[10-(4-aminobutyl)-19-[(2-amino-1-oxo-3-phenylpropyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-7-(1-methylethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5, 8,11,14,17-pentaazacycloeicos-4-yl]carbonyl]amino]- [ACD/Index Name]
Sanvar IR
Vapreotida [Spanish] [INN]
Vapreotide
Vapreotide [USAN:INN] [INN] [USAN]
Vapreotidum [Latin]

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

BMY 41606 [DBID]
CCRIS 6495 [DBID]
RC 160 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1540.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 247.4±3.0 kJ/mol
Flash Point: 885.7±34.3 °C
Index of Refraction: 1.699
Molar Refractivity: 310.8±0.4 cm3
#H bond acceptors: 21
#H bond donors: 16
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 3.47
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 401 Å2
Polarizability: 123.2±0.5 10-24cm3
Surface Tension: 81.8±5.0 dyne/cm
Molar Volume: 804.8±5.0 cm3

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