Found 1 result

Search term: 10361529 (Found by CSID)
ChemSpider 2D Image | N-Acetyl-L-tyrosyl-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-[(2S)-2-butanyl]-21-hydroxy-15-(4-hydroxybenzyl)-2-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16. 3.1]docos-12-yl]-L-glutamine | C55H72N8O15

N-Acetyl-L-tyrosyl-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-[(2S)-2-butanyl]-21-hydroxy-15-(4-hydroxybenzyl)-2-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16. 3.1]docos-12-yl]-L-glutamine

  • Molecular FormulaC55H72N8O15
  • Average mass1085.205 Da
  • Monoisotopic mass1084.511719 Da
  • ChemSpider ID10361529

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

L-Glutamine, N-acetyl-L-tyrosyl-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(1-methylethyl)-8-[(1S)-1-methylpropyl]-3,6,9,13,16,22-hexaoxo-5-(phenylmethyl )-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]- [ACD/Index Name]
N-Acetyl-L-tyrosyl-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-[(2S)-2-butanyl]-21-hydroxy-15-(4-hydroxybenzyl)-2-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16. 3.1]docos-12-yl]-L-glutamin [German] [ACD/IUPAC Name]
N-Acetyl-L-tyrosyl-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-[(2S)-2-butanyl]-21-hydroxy-15-(4-hydroxybenzyl)-2-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16. 3.1]docos-12-yl]-L-glutamine [ACD/IUPAC Name]
N-Acétyl-L-tyrosyl-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-[(2S)-2-butanyl]-21-hydroxy-15-(4-hydroxybenzyl)-2-isopropyl-4,11-diméthyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16. 3.1]docos-12-yl]-L-glutamine [French] [ACD/IUPAC Name]
micropeptin 88-Y

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1457.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 233.8±3.0 kJ/mol
Flash Point: 835.2±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 281.9±0.4 cm3
#H bond acceptors: 23
#H bond donors: 10
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -1.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 340 Å2
Polarizability: 111.7±0.5 10-24cm3
Surface Tension: 72.5±5.0 dyne/cm
Molar Volume: 791.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement