Found 1 result

Search term: 78436414 (Found by CSID)
ChemSpider 2D Image | N~2~-Acetyl-N~1~-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-amino-3-oxopropyl)-2-benzyl-8-[(2S)-2-butanyl]-5-(3-chloro-4-hydroxybenzyl)-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pe ntaazabicyclo[16.3.1]docos-12-yl]-L-glutamamide | C46H62ClN9O13

N2-Acetyl-N1-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-amino-3-oxopropyl)-2-benzyl-8-[(2S)-2-butanyl]-5-(3-chloro-4-hydroxybenzyl)-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pe ntaazabicyclo[16.3.1]docos-12-yl]-L-glutamamide

  • Molecular FormulaC46H62ClN9O13
  • Average mass984.490 Da
  • Monoisotopic mass983.415588 Da
  • ChemSpider ID78436414

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

L-Glutamamide, N2-acetyl-N1-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-amino-3-oxopropyl)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-4,11-dimethyl-8-[(1S)-1-methylpropyl]-3,6,9,13,16,22-hexaoxo-2- (phenylmethyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]- [ACD/Index Name]
N2-Acetyl-N1-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-amino-3-oxopropyl)-2-benzyl-8-[(2S)-2-butanyl]-5-(3-chlor-4-hydroxybenzyl)-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pen ; taazabicyclo[16.3.1]docos-12-yl]-L-glutamamid [German] [ACD/IUPAC Name]
N2-Acetyl-N1-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-amino-3-oxopropyl)-2-benzyl-8-[(2S)-2-butanyl]-5-(3-chloro-4-hydroxybenzyl)-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pe ; ntaazabicyclo[16.3.1]docos-12-yl]-L-glutamamide [ACD/IUPAC Name]
N2-Acétyl-N1-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-amino-3-oxopropyl)-2-benzyl-8-[(2S)-2-butanyl]-5-(3-chloro-4-hydroxybenzyl)-21-hydroxy-4,11-diméthyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pe ; ntaazabicyclo[16.3.1]docos-12-yl]-L-glutamamide [French] [ACD/IUPAC Name]
Micropeptin HA983

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1419.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 226.4±3.0 kJ/mol
Flash Point: 812.0±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 248.7±0.4 cm3
#H bond acceptors: 22
#H bond donors: 11
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -2.98
ACD/LogD (pH 5.5): -1.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.50
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.30
Polar Surface Area: 339 Å2
Polarizability: 98.6±0.5 10-24cm3
Surface Tension: 73.8±5.0 dyne/cm
Molar Volume: 701.3±5.0 cm3

Click to predict properties on the Chemicalize site


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