ChemSpider 2D Image | 5-Oxo-L-prolyl-L-histidyl-N-[(1S,4S,10S,13S)-13-({(2S)-2-[(2-acetylhydrazino)carbonyl]-1-pyrrolidinyl}carbonyl)-18-amino-4-(4-hydroxybenzyl)-1-(hydroxymethyl)-18-imino-10-isobutyl-2,5,8,11-tetraoxo-3, 6,9,12,17-pentaazaoctadec-1-yl]-L-tryptophanamide | C55H75N17O13

5-Oxo-L-prolyl-L-histidyl-N-[(1S,4S,10S,13S)-13-({(2S)-2-[(2-acetylhydrazino)carbonyl]-1-pyrrolidinyl}carbonyl)-18-amino-4-(4-hydroxybenzyl)-1-(hydroxymethyl)-18-imino-10-isobutyl-2,5,8,11-tetraoxo-3, 6,9,12,17-pentaazaoctadec-1-yl]-L-tryptophanamide

  • Molecular FormulaC55H75N17O13
  • Average mass1182.290 Da
  • Monoisotopic mass1181.572998 Da
  • ChemSpider ID23162765

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-Pyrrolidinecarboxylic acid, 1-[(2S,5S,11S,14S,17S,20S)-2-[3-[(diaminomethylene)amino]propyl]-14-(hydroxymethyl)-11-[(4-hydroxyphenyl)methyl]-20-(1H-imidazol-4-ylmethyl)-17-(1H-indol-3-ylmethyl)-5-(2 -methylpropyl)-1,4,7,10,13,16,19,22-octaoxo-22-[(2S)-5-oxo-2-pyrrolidinyl]-3,6,9,12,15,18,21-heptaazadocos-1-yl]-, 2-acetylhydrazide, (2S)- [ACD/Index Name]
2-pyrrolidinecarboxylic acid, 1-[(2S,5S,11S,14S,17S,20S)-2-[3-[(diaminomethylene)amino]propyl]-14-(hydroxymethyl)-11-[(4-hydroxyphenyl)methyl]-20-(1H-imidazol-4-ylmethyl)-17-(1H-indol-3-ylmethyl)-5-(2-methylpropyl)-1,4,7,10,13,16,19,22-octaoxo-22-[(2S)-5-oxo-2-pyrrolidinyl]-3,6,9,12,15,18,21-heptaazadocos-1-yl]-, 2-acetylhydrazide, (2S)-
5-Oxo-L-prolyl-L-histidyl-N-[(1S,4S,10S,13S)-13-({(2S)-2-[(2-acetylhydrazino)carbonyl]-1-pyrrolidinyl}carbonyl)-18-amino-4-(4-hydroxybenzyl)-1-(hydroxymethyl)-18-imino-10-isobutyl-2,5,8,11-tetraoxo-3, 6,9,12,17-pentaazaoctadec-1-yl]-L-tryptophanamid [German] [ACD/IUPAC Name]
5-Oxo-L-prolyl-L-histidyl-N-[(1S,4S,10S,13S)-13-({(2S)-2-[(2-acetylhydrazino)carbonyl]-1-pyrrolidinyl}carbonyl)-18-amino-4-(4-hydroxybenzyl)-1-(hydroxymethyl)-18-imino-10-isobutyl-2,5,8,11-tetraoxo-3, 6,9,12,17-pentaazaoctadec-1-yl]-L-tryptophanamide [ACD/IUPAC Name]
5-Oxo-L-prolyl-L-histidyl-N-[(1S,4S,10S,13S)-13-({(2S)-2-[(2-acétylhydrazino)carbonyl]-1-pyrrolidinyl}carbonyl)-18-amino-4-(4-hydroxybenzyl)-1-(hydroxyméthyl)-18-imino-10-isobutyl-2,5,8,11-tétraoxo-3, 6,9,12,17-pentaazaoctadéc-1-yl]-L-tryptophaneamide [French] [ACD/IUPAC Name]
5-oxo-L-prolyl-L-histidyl-N-[(1S,4S,10S,13S)-13-({(2S)-2-[(2-acetylhydrazinyl)carbonyl]pyrrolidin-1-yl}carbonyl)-18,18-diamino-4-(4-hydroxybenzyl)-1-(hydroxymethyl)-10-(2-methylpropyl)-2,5,8,11-tetraoxo-3,6,9,12,17-pentaazaoctadec-17-en-1-yl]-L-tryptophanamide
[des-Gly-NH2]-LH-RH acetylhydrazide

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: 1.708
Molar Refractivity: 301.8±0.5 cm3
#H bond acceptors: 30
#H bond donors: 18
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: -1.98
ACD/LogD (pH 5.5): -6.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 461 Å2
Polarizability: 119.6±0.5 10-24cm3
Surface Tension: 68.3±7.0 dyne/cm
Molar Volume: 774.1±7.0 cm3

Click to predict properties on the Chemicalize site


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