Found 1 result

Search term: OVCXMKITXFVUSL-AIQTWYNVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S,5R,8R,11S,14S,17S)-8-Benzyl-2-butyl-5,11-bis(3-carbamimidamidopropyl)-14-(1H-indol-3-ylmethyl)-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexaazacycloicosane-17-carboxamide | C43H62N14O7

(2S,5R,8R,11S,14S,17S)-8-Benzyl-2-butyl-5,11-bis(3-carbamimidamidopropyl)-14-(1H-indol-3-ylmethyl)-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexaazacycloicosane-17-carboxamide

  • Molecular FormulaC43H62N14O7
  • Average mass887.042 Da
  • Monoisotopic mass886.492615 Da
  • ChemSpider ID23267103

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,5R,8R,11S,14S,17S)-8-Benzyl-2-butyl-5,11-bis(3-carbamimidamidopropyl)-14-(1H-indol-3-ylmethyl)-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexaazacycloicosan-17-carboxamid [German] [ACD/IUPAC Name]
(2S,5R,8R,11S,14S,17S)-8-Benzyl-2-butyl-5,11-bis(3-carbamimidamidopropyl)-14-(1H-indol-3-ylmethyl)-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexaazacycloicosane-17-carboxamide [ACD/IUPAC Name]
(2S,5R,8R,11S,14S,17S)-8-Benzyl-2-butyl-5,11-bis(3-carbamimidamidopropyl)-14-(1H-indol-3-ylméthyl)-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexaazacycloicosane-17-carboxamide [French] [ACD/IUPAC Name]
(2S,5R,8R,11S,14S,17S)-8-benzyl-2-butyl-5,11-bis{3-[(diaminomethylidene)amino]propyl}-14-(1H-indol-3-ylmethyl)-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexaazacycloicosane-17-carboxamide
1,4,7,10,13,16-Hexaazacycloeicosane-17-carboxamide, 5,11-bis[3-[(aminoiminomethyl)amino]propyl]-2-butyl-14-(1H-indol-3-ylmethyl)-3,6,9,12,15,20-hexaoxo-8-(phenylmethyl)-, (2S,5R,8R,11S,14S,17S)- [ACD/Index Name]
c[Nle-Arg-D-Phe-Arg-Trp-Glu]-NH2
CHEMBL263822

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: 1.685
Molar Refractivity: 233.4±0.5 cm3
#H bond acceptors: 21
#H bond donors: 17
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -1.41
ACD/LogD (pH 5.5): -4.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 362 Å2
Polarizability: 92.5±0.5 10-24cm3
Surface Tension: 64.6±7.0 dyne/cm
Molar Volume: 614.3±7.0 cm3

Click to predict properties on the Chemicalize site


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