Found 1 result

Search term: 8616524 (Found by CSID)
ChemSpider 2D Image | N-Hexanoylglycyl-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-amino-3-oxopropyl)-2-benzyl-21-hydroxy-5-(1H-indol-3-ylmethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicy clo[16.3.1]docos-12-yl]-L-threoninamide | C52H72N10O13

N-Hexanoylglycyl-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-amino-3-oxopropyl)-2-benzyl-21-hydroxy-5-(1H-indol-3-ylmethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicy clo[16.3.1]docos-12-yl]-L-threoninamide

  • Molecular FormulaC52H72N10O13
  • Average mass1045.187 Da
  • Monoisotopic mass1044.528076 Da
  • ChemSpider ID8616524

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

L-Threoninamide, N-(1-oxohexyl)glycyl-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-amino-3-oxopropyl)-21-hydroxy-5-(1H-indol-3-ylmethyl)-4,11-dimethyl-8-(1-methylethyl)-3,6,9,13,16,22-hexaoxo-2-(phenylmeth yl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]- [ACD/Index Name]
L-threoninamide, N-(1-oxohexyl)glycyl-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-amino-3-oxopropyl)-21-hydroxy-5-(1H-indol-3-ylmethyl)-4,11-dimethyl-8-(1-methylethyl)-3,6,9,13,16,22-hexaoxo-2-(phenylmethyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]-
N-hexanoylglycyl-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-amino-3-oxopropyl)-2-benzyl-21-hydroxy-5-(1H-indol-3-ylmethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]-L-threoninamide
N-Hexanoylglycyl-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-amino-3-oxopropyl)-2-benzyl-21-hydroxy-5-(1H-indol-3-ylmethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicy clo[16.3.1]docos-12-yl]-L-threoninamid [German] [ACD/IUPAC Name]
N-Hexanoylglycyl-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-amino-3-oxopropyl)-2-benzyl-21-hydroxy-5-(1H-indol-3-ylmethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicy clo[16.3.1]docos-12-yl]-L-threoninamide [ACD/IUPAC Name]
N-Hexanoylglycyl-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-amino-3-oxopropyl)-2-benzyl-21-hydroxy-5-(1H-indol-3-ylméthyl)-8-isopropyl-4,11-diméthyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicy clo[16.3.1]docos-12-yl]-L-thréoninamide [French] [ACD/IUPAC Name]
micropeptin 103

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1458.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 234.0±3.0 kJ/mol
Flash Point: 835.7±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 273.9±0.4 cm3
#H bond acceptors: 23
#H bond donors: 11
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -1.21
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.14
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.13
Polar Surface Area: 341 Å2
Polarizability: 108.6±0.5 10-24cm3
Surface Tension: 71.4±5.0 dyne/cm
Molar Volume: 771.6±5.0 cm3

Click to predict properties on the Chemicalize site


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