Found 3 results

Search term: MF = 'C_{53}H_{86}N_{8}O_{10}'
ChemSpider 2D Image | L-Leucyl-N-{(4S,7S,10R,13S,16S,18R)-4-carboxy-10-(2-cyanoethyl)-2,5,13,14,18-pentamethyl-7-[(2R)-2-methylhexyl]-6,9,12,15-tetraoxo-11-oxa-5,8,14-triazadocosan-16-yl}-1-methoxy-Nalpha-methyl-L-tryptoph anamide | C53H86N8O10

L-Leucyl-N-{(4S,7S,10R,13S,16S,18R)-4-carboxy-10-(2-cyanoethyl)-2,5,13,14,18-pentamethyl-7-[(2R)-2-methylhexyl]-6,9,12,15-tetraoxo-11-oxa-5,8,14-triazadocosan-16-yl}-1-methoxy-Nα-methyl-L-tryptoph anamide

  • Molecular FormulaC53H86N8O10
  • Average mass995.297 Da
  • Monoisotopic mass994.646667 Da
  • ChemSpider ID9215532

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

L-Leucyl-N-{(4S,7S,10R,13S,16S,18R)-4-carboxy-10-(2-cyanethyl)-2,5,13,14,18-pentamethyl-7-[(2R)-2-methylhexyl]-6,9,12,15-tetraoxo-11-oxa-5,8,14-triazadocosan-16-yl}-1-methoxy-Nα-methyl-L-tryptopha namid [German] [ACD/IUPAC Name]
L-Leucyl-N-{(4S,7S,10R,13S,16S,18R)-4-carboxy-10-(2-cyanoethyl)-2,5,13,14,18-pentamethyl-7-[(2R)-2-methylhexyl]-6,9,12,15-tetraoxo-11-oxa-5,8,14-triazadocosan-16-yl}-1-methoxy-Nα-methyl-L-tryptoph anamide [ACD/IUPAC Name]
L-Leucyl-N-{(4S,7S,10R,13S,16S,18R)-4-carboxy-10-(2-cyanoéthyl)-2,5,13,14,18-pentaméthyl-7-[(2R)-2-méthylhexyl]-6,9,12,15-tétraoxo-11-oxa-5,8,14-triazadocosan-16-yl}-1-méthoxy-Nα-méthyl-L-tryptoph aneamide [French] [ACD/IUPAC Name]
L-Tryptophanamide, L-leucyl-N-[(1S,4S,7R,10S,13S)-13-carboxy-7-(2-cyanoethyl)-3,4,12,15-tetramethyl-1,10-bis[(2R)-2-methylhexyl]-2,5,8,11-tetraoxo-6-oxa-3,9,12-triazahexadec-1-yl]-1-methoxy-Nα-met hyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.559
Molar Refractivity: 274.7±0.5 cm3
#H bond acceptors: 18
#H bond donors: 5
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 4
ACD/LogP: 11.19
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 394.93
ACD/KOC (pH 5.5): 488.69
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 363.51
ACD/KOC (pH 7.4): 449.82
Polar Surface Area: 247 Å2
Polarizability: 108.9±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 851.3±7.0 cm3

Click to predict properties on the Chemicalize site


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