Found 1 result

Search term: HLHOGWQWYVRLCK-VYEPDBDFSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3S,6R,9S,12R,15R,23S)-9-Benzyl-6-(3-carbamimidamidopropyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-(pentanoylamino)-12-[4-(trifluoromethyl)benzyl]-1,4,7,10,13,18-hexaazacyclotricosane-23-ca rboxamide | C51H65F3N12O8

(3S,6R,9S,12R,15R,23S)-9-Benzyl-6-(3-carbamimidamidopropyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-(pentanoylamino)-12-[4-(trifluoromethyl)benzyl]-1,4,7,10,13,18-hexaazacyclotricosane-23-ca rboxamide

  • Molecular FormulaC51H65F3N12O8
  • Average mass1031.133 Da
  • Monoisotopic mass1030.500000 Da
  • ChemSpider ID23123372

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,6R,9S,12R,15R,23S)-9-Benzyl-6-(3-carbamimidamidopropyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-(pentanoylamino)-12-[4-(trifluormethyl)benzyl]-1,4,7,10,13,18-hexaazacyclotricosan-23-carb oxamid [German] [ACD/IUPAC Name]
(3S,6R,9S,12R,15R,23S)-9-Benzyl-6-(3-carbamimidamidopropyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-(pentanoylamino)-12-[4-(trifluoromethyl)benzyl]-1,4,7,10,13,18-hexaazacyclotricosane-23-ca rboxamide [ACD/IUPAC Name]
(3S,6R,9S,12R,15R,23S)-9-Benzyl-6-(3-carbamimidamidopropyl)-3-(1H-indol-3-ylméthyl)-2,5,8,11,14,17-hexaoxo-15-(pentanoylamino)-12-[4-(trifluorométhyl)benzyl]-1,4,7,10,13,18-hexaazacyclotricosane-23-ca rboxamide [French] [ACD/IUPAC Name]
(3S,6R,9S,12R,15R,23S)-9-benzyl-6-{3-[(diaminomethylidene)amino]propyl}-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-(pentanoylamino)-12-[4-(trifluoromethyl)benzyl]-1,4,7,10,13,18-hexaazacyclotricosane-23-carboxamide
1,4,7,10,13,18-Hexaazacyclotricosane-23-carboxamide, 6-[3-[(aminoiminomethyl)amino]propyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-[(1-oxopentyl)amino]-9-(phenylmethyl)-12-[[4-(trifluorometh yl)phenyl]methyl]-, (3S,6R,9S,12R,15R,23S)- [ACD/Index Name]
1,4,7,10,13,18-hexaazacyclotricosane-23-carboxamide, 6-[3-[(diaminomethylene)amino]propyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-[(1-oxopentyl)amino]-9-(phenylmethyl)-12-[[4-(trifluoromethyl)phenyl]methyl]-, (3S,6R,9S,12R,15R,23S)-
(3S,6R,9S,12R,15R,23S)-9-benzyl-6-{3-[(diaminomethylidene)amino]propyl}-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-pentanamido-12-{[4-(trifluoromethyl)phenyl]methyl}-1,4,7,10,13,18-hexaazacyclotricosane-23-carboxamide
CHEMBL410148

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 264.9±0.5 cm3
#H bond acceptors: 20
#H bond donors: 14
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.90
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.90
Polar Surface Area: 327 Å2
Polarizability: 105.0±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 731.3±7.0 cm3

Click to predict properties on the Chemicalize site


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