ChemSpider 2D Image | (2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-Dihydroxy-1,6-diphenyl-2,5-hexanediyl]bis(3-methyl-2-{[(2S)-3-[(2-methyl-2-propanyl)sulfonyl]-2-(1-naphthylmethyl)propanoyl]amino}butanamide) | C64H82N4O10S2

(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-Dihydroxy-1,6-diphenyl-2,5-hexanediyl]bis(3-methyl-2-{[(2S)-3-[(2-methyl-2-propanyl)sulfonyl]-2-(1-naphthylmethyl)propanoyl]amino}butanamide)

  • Molecular FormulaC64H82N4O10S2
  • Average mass1131.487 Da
  • Monoisotopic mass1130.547241 Da
  • ChemSpider ID4587231

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-Dihydroxy-1,6-diphenyl-2,5-hexandiyl]bis(3-methyl-2-{[(2S)-3-[(2-methyl-2-propanyl)sulfonyl]-2-(1-naphthylmethyl)propanoyl]amino}butanamid) [German] [ACD/IUPAC Name]
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-Dihydroxy-1,6-diphenyl-2,5-hexanediyl]bis(3-methyl-2-{[(2S)-3-[(2-methyl-2-propanyl)sulfonyl]-2-(1-naphthylmethyl)propanoyl]amino}butanamide) [ACD/IUPAC Name]
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-Dihydroxy-1,6-diphényl-2,5-hexanediyl]bis(3-méthyl-2-{[(2S)-3-[(2-méthyl-2-propanyl)sulfonyl]-2-(1-naphtylméthyl)propanoyl]amino}butanamide) [French] [ACD/IUPAC Name]
L-Iditol, 1,2,5,6-tetradeoxy-2,5-bis[[(2S)-2-[[(2S)-3-[(1,1-dimethylethyl)sulfonyl]-2-(1-naphthalenylmethyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1,6-diphenyl- [ACD/Index Name]
N-(1-BENZYL-2,3-DIHYDROXY-4-{3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRYLAMINO}-5-PHENYL-PENTYL)-3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRAMIDE
Bay
HOE/BAY 793
N,N'-Bis-[(2S-(1,1-dimethylethylsulfonylmethyl)-3-(1-naphthyl)propionyl)-L-valyl]-2S,5S-diamino-1,6-diphenylhexane-3R,4R-diol

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

AIDS072207 [DBID]
AIDS-072207 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1309.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 206.0±3.0 kJ/mol
Flash Point: 745.6±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 319.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 4
ACD/LogP: 11.28
ACD/LogD (pH 5.5): 9.09
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2099391.75
ACD/LogD (pH 7.4): 9.09
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2099387.25
Polar Surface Area: 242 Å2
Polarizability: 126.8±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 932.5±3.0 cm3

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