ChemSpider 2D Image | Dibenzyl [(2S,5S,8S,9R,10R,11S,14S,17S)-8,11-dibenzyl-9,10-dihydroxy-5,14-diisopropyl-3,6,13,16-tetraoxo-4,7,12,15-tetraazaoctadecane-2,17-diyl]biscarbamate | C50H64N6O10

Dibenzyl [(2S,5S,8S,9R,10R,11S,14S,17S)-8,11-dibenzyl-9,10-dihydroxy-5,14-diisopropyl-3,6,13,16-tetraoxo-4,7,12,15-tetraazaoctadecane-2,17-diyl]biscarbamate

  • Molecular FormulaC50H64N6O10
  • Average mass909.077 Da
  • Monoisotopic mass908.468384 Da
  • ChemSpider ID4587198
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

[(2S,5S,8S,9R,10R,11S,14S,17S)-8,11-Dibenzyl-9,10-dihydroxy-5,14-diisopropyl-3,6,13,16-tétraoxo-4,7,12,15-tétraazaoctadécane-2,17-diyl]biscarbamate de dibenzyle [French] [ACD/IUPAC Name]
Benzyl [(1s,4s,7s,8r,9r,10s,13s,16s)-7,10-Dibenzyl-8,9-Dihydroxy-1,16-Dimethyl-4,13-Bis(1-Methylethyl)-2,5,12,15,18-Pentaoxo-20-Phenyl-19-Oxa-3,6,11,14,17-Pentaazaicos-1-Yl]carbamate
Dibenzyl [(2S,5S,8S,9R,10R,11S,14S,17S)-8,11-dibenzyl-9,10-dihydroxy-5,14-diisopropyl-3,6,13,16-tetraoxo-4,7,12,15-tetraazaoctadecane-2,17-diyl]biscarbamate [ACD/IUPAC Name]
Dibenzyl-[(2S,5S,8S,9R,10R,11S,14S,17S)-8,11-dibenzyl-9,10-dihydroxy-5,14-diisopropyl-3,6,13,16-tetraoxo-4,7,12,15-tetraazaoctadecan-2,17-diyl]biscarbamat [German] [ACD/IUPAC Name]
(2S)-N-(4-((2S)-2-((2S)-2-((phenylmethoxy)carbonylamino)propanoylamino)-3-methylbutanoylamino)(1S,4S,2R,3R)-2,3-dihydroxy-5-phenyl-1-benzylpentyl)-2-((2S)-2-((phenylmethoxy)carbonylamino)propanoylamino)-3-methylbutanamide
(2S)-N-(4-((2S)-2-((2S)-2-((phenylmethoxy)carbonylamino)propanoylamino)-3-methylbutanoylamino)(1S,4S,2R,3R)-2,3-dihydroxy-5-phenyl-1-benzylpentyl)-2-((2S)-2-((phenylmethoxy)carbonylamino)propanoylamino)-3-methylbutanamide204907-85-7
(2S)-N-[4-((2S)-2-{(2S)-2-[(phenylmethoxy)carbonylamino]propanoylamino}-3-methylbutanoylamino)(1S,4S,2R,3R)-2,3-dihydroxy-5-phenyl-1-benzylpentyl]-2-{(2S)-2-[(phenylmethoxy)carbonylamino]propanoylamino}-3-methylbutanamide
204907-85-7 [RN]
3TL
BENZYL N-[(1S)-1-{[(1S)-1-{[(2S,3R,4R,5S)-5-[(2S)-2-[(2S)-2-{[(BENZYLOXY)CARBONYL]AMINO}PROPANAMIDO]-3-METHYLBUTANAMIDO]-3,4-DIHYDROXY-1,6-DIPHENYLHEXAN-2-YL]CARBAMOYL}-2-METHYLPROPYL]CARBAMOYL}ETHYL]CARBAMATE

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

AIDS071822 [DBID]
AIDS-071822 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 1164.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 180.3±3.0 kJ/mol
Flash Point: 658.1±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 248.3±0.3 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 4
ACD/LogP: 8.40
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 31184.92
ACD/KOC (pH 5.5): 57289.15
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 31179.31
ACD/KOC (pH 7.4): 57278.84
Polar Surface Area: 234 Å2
Polarizability: 98.5±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 747.6±3.0 cm3

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