Found 1 result

Search term: 78441153 (Found by CSID)
ChemSpider 2D Image | 1-Acetyl-L-prolyl-N~1~-[(2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-8-[(2S)-2-butanyl]-21-hydroxy-5-(4-hydroxybenzyl)-15-isobutyl-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-glutamamide | C52H73N9O13

1-Acetyl-L-prolyl-N1-[(2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-8-[(2S)-2-butanyl]-21-hydroxy-5-(4-hydroxybenzyl)-15-isobutyl-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-glutamamide

  • Molecular FormulaC52H73N9O13
  • Average mass1032.188 Da
  • Monoisotopic mass1031.532837 Da
  • ChemSpider ID78441153

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

1-Acetyl-L-prolyl-N1-[(2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-8-[(2S)-2-butanyl]-21-hydroxy-5-(4-hydroxybenzyl)-15-isobutyl-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-glutamamid [German] [ACD/IUPAC Name]
1-Acetyl-L-prolyl-N1-[(2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-8-[(2S)-2-butanyl]-21-hydroxy-5-(4-hydroxybenzyl)-15-isobutyl-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-glutamamide [ACD/IUPAC Name]
1-Acétyl-L-prolyl-N1-[(2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-8-[(2S)-2-butanyl]-21-hydroxy-5-(4-hydroxybenzyl)-15-isobutyl-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-glutamamide [French] [ACD/IUPAC Name]
L-Glutamamide, 1-acetyl-L-prolyl-N1-[(2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-8-[(1S)-1-methylpropyl]-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-2-(phenylm 
ethyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]- [ACD/Index Name]
Oscillapeptilide 97-B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1396.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 222.3±3.0 kJ/mol
Flash Point: 798.6±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 269.8±0.4 cm3
#H bond acceptors: 22
#H bond donors: 9
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.56
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.50
Polar Surface Area: 316 Å2
Polarizability: 107.0±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 771.5±5.0 cm3

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