Found 1 result

Search term: HTVRDIRGEIESHE-LTGHFUFGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{[(1R,6S,9S,12S)-9-(4-Hydroxybenzyl)-13-(N-methylglycyl-L-arginyl)-8,11-dioxo-2,3-dithia-7,10,13-triazabicyclo[10.2.1]pentadec-6-yl]carbonyl}-L-histidyl-L-prolyl-L-phenylalanine | C47H63N13O10S2

N-{[(1R,6S,9S,12S)-9-(4-Hydroxybenzyl)-13-(N-methylglycyl-L-arginyl)-8,11-dioxo-2,3-dithia-7,10,13-triazabicyclo[10.2.1]pentadec-6-yl]carbonyl}-L-histidyl-L-prolyl-L-phenylalanine

  • Molecular FormulaC47H63N13O10S2
  • Average mass1034.214 Da
  • Monoisotopic mass1033.426270 Da
  • ChemSpider ID23150009

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

L-Phenylalanine, N-[[(1R,6S,9S,12S)-13-[(2S)-5-[(diaminomethylene)amino]-2-[[2-(methylamino)acetyl]amino]-1-oxopentyl]-9-[(4-hydroxyphenyl)methyl]-8,11-dioxo-2,3-dithia-7,10,13-triazabicyclo[10.2.1]pe ntadec-6-yl]carbonyl]-L-histidyl-L-prolyl- [ACD/Index Name]
N-{[(1R,6S,9S,12S)-9-(4-Hydroxybenzyl)-13-(N-methylglycyl-L-arginyl)-8,11-dioxo-2,3-dithia-7,10,13-triazabicyclo[10.2.1]pentadec-6-yl]carbonyl}-L-histidyl-L-prolyl-L-phenylalanin [German] [ACD/IUPAC Name]
N-{[(1R,6S,9S,12S)-9-(4-Hydroxybenzyl)-13-(N-methylglycyl-L-arginyl)-8,11-dioxo-2,3-dithia-7,10,13-triazabicyclo[10.2.1]pentadec-6-yl]carbonyl}-L-histidyl-L-prolyl-L-phenylalanine [ACD/IUPAC Name]
N-{[(1R,6S,9S,12S)-9-(4-Hydroxybenzyl)-13-(N-méthylglycyl-L-arginyl)-8,11-dioxo-2,3-dithia-7,10,13-triazabicyclo[10.2.1]pentadéc-6-yl]carbonyl}-L-histidyl-L-prolyl-L-phénylalanine [French] [ACD/IUPAC Name]
c[Sar1-Arg2-Mpt3-Tyr4-Hcy5-His6-Pro7-Cys8]antiparallel

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: 1.724
Molar Refractivity: 267.1±0.5 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 0.09
ACD/LogD (pH 5.5): -4.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 399 Å2
Polarizability: 105.9±0.5 10-24cm3
Surface Tension: 70.3±7.0 dyne/cm
Molar Volume: 673.0±7.0 cm3

Click to predict properties on the Chemicalize site


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