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Search term: KEPCCDBSKLGSTC-WNJKUOTESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl (5-{[(3-aminophenyl)sulfonyl][(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl]amino}-4,4-dimethylpentyl)carbamate | C32H46N4O9S

Methyl (5-{[(3-aminophenyl)sulfonyl][(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl]amino}-4,4-dimethylpentyl)carbamate

  • Molecular FormulaC32H46N4O9S
  • Average mass662.794 Da
  • Monoisotopic mass662.298523 Da
  • ChemSpider ID421573

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5-{[(3-Aminophényl)sulfonyl][(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phénylbutyl]amino}-4,4-diméthylpentyl)carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[5-[[(3-aminophenyl)sulfonyl][(2R,3S)-3-[[[[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy]carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-4,4-dimethylpentyl]-, methyl ester [ACD/Index Name]
Methyl (5-{[(3-aminophenyl)sulfonyl][(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl]amino}-4,4-dimethylpentyl)carbamate [ACD/IUPAC Name]
Methyl-(5-{[(3-aminophenyl)sulfonyl][(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl]amino}-4,4-dimethylpentyl)carbamat [German] [ACD/IUPAC Name]
((2R)-4,6-Dioxabicyclo[3.3.0]oct-2-yloxy)-N-((1S,2R)-3-{[(3-aminophenyl)sulfonyl] [5-(methoxycarbonylamino)-2,2-dimethylpentyl]amino}-2-hydroxy-1-benzylpropyl) carboxamide
(5-{(3-Amino-benzenesulfonyl)-[3-(hexahydro-furo[2,3-b]furan-3-yloxycarbonylamino)-2-hydroxy-4-phenyl-butyl]-amino}-4,4-dimethyl-pentyl)-carbamic acid methyl ester
arylsulfonamide 11b

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

AIDS095593 [DBID]
AIDS-095593 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.607
Molar Refractivity: 172.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 252.73
ACD/KOC (pH 5.5): 1823.89
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 253.57
ACD/KOC (pH 7.4): 1829.95
Polar Surface Area: 187 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 498.5±5.0 cm3

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