ChemSpider 2D Image | antarelix | C74H100ClN15O14

antarelix

  • Molecular FormulaC74H100ClN15O14
  • Average mass1459.131 Da
  • Monoisotopic mass1457.726318 Da
  • ChemSpider ID16737148
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(2S)-N-[(2R)-1-Amino-1-oxo-2-propanyl]-1-[(2S,5R,8R,11S,14S,17R,20R,23R)-8-[4-(carbamoylamino)butyl]-20-(4-chlorbenzyl)-11-(4-hydroxybenzyl)-14-(hydroxymethyl)-5-isobutyl-2-[4-(isopropylamino)butyl]-2 3-(2-naphthylmethyl)-4,7,10,13,16,19,22,25-octaoxo-17-(3-pyridinylmethyl)-3,6,9,12,15,18,21,24-octaazahexacosan-1-oyl]-2-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(2S)-N-[(2R)-1-Amino-1-oxo-2-propanyl]-1-[(2S,5R,8R,11S,14S,17R,20R,23R)-8-[4-(carbamoylamino)butyl]-20-(4-chlorobenzyl)-11-(4-hydroxybenzyl)-14-(hydroxymethyl)-5-isobutyl-2-[4-(isopropylamino)butyl]- 23-(2-naphthylmethyl)-4,7,10,13,16,19,22,25-octaoxo-17-(3-pyridinylmethyl)-3,6,9,12,15,18,21,24-octaazahexacosan-1-oyl]-2-pyrrolidinecarboxamide [ACD/IUPAC Name]
(2S)-N-[(2R)-1-Amino-1-oxo-2-propanyl]-1-[(2S,5R,8R,11S,14S,17R,20R,23R)-8-[4-(carbamoylamino)butyl]-20-(4-chlorobenzyl)-11-(4-hydroxybenzyl)-14-(hydroxyméthyl)-5-isobutyl-2-[4-(isopropylamino)butyl]- 23-(2-naphtylméthyl)-4,7,10,13,16,19,22,25-octaoxo-17-(3-pyridinylméthyl)-3,6,9,12,15,18,21,24-octaazahexacosan-1-oyl]-2-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
144743-92-0 [RN]
antarelix
teverelix [INN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1692.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 281.1±3.0 kJ/mol
Flash Point: 977.6±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 389.8±0.3 cm3
#H bond acceptors: 29
#H bond donors: 17
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 4.49
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 446 Å2
Polarizability: 154.5±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 1143.7±3.0 cm3

Click to predict properties on the Chemicalize site






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