Found 5 results

Search term: MF = 'C_{43}H_{63}N_{7}O_{8}S'
ChemSpider 2D Image | N-{[(4R)-3-{(2S,3S)-3-[(N-Acetyl-L-isoleucyl-L-valyl)amino]-2-hydroxy-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazolidin-4-yl]carbonyl}-L-valyl-L-phenylalaninamide | C43H63N7O8S

N-{[(4R)-3-{(2S,3S)-3-[(N-Acetyl-L-isoleucyl-L-valyl)amino]-2-hydroxy-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazolidin-4-yl]carbonyl}-L-valyl-L-phenylalaninamide

  • Molecular FormulaC43H63N7O8S
  • Average mass838.067 Da
  • Monoisotopic mass837.445862 Da
  • ChemSpider ID23292722

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[[(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S,3S)-2-(acetylamino)-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-5,5-dimethyl-4-thiazolidinyl]carbony l]-L-valyl- [ACD/Index Name]
L-phenylalaninamide, N-[[(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S,3S)-2-(acetylamino)-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-5,5-dimethyl-4-thiazolidinyl]carbonyl]-L-valyl-
N-{[(4R)-3-{(2S,3S)-3-[(N-Acetyl-L-isoleucyl-L-valyl)amino]-2-hydroxy-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazolidin-4-yl]carbonyl}-L-valyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-{[(4R)-3-{(2S,3S)-3-[(N-Acetyl-L-isoleucyl-L-valyl)amino]-2-hydroxy-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazolidin-4-yl]carbonyl}-L-valyl-L-phenylalaninamide [ACD/IUPAC Name]
N-{[(4R)-3-{(2S,3S)-3-[(N-Acétyl-L-isoleucyl-L-valyl)amino]-2-hydroxy-4-phénylbutanoyl}-5,5-diméthyl-1,3-thiazolidin-4-yl]carbonyl}-L-valyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
(R)-3-((2S,3S)-3-((S)-2-((2S,3S)-2-acetamido-3-methylpentanamido)-3-methylbutanamido)-2-hydroxy-4-phenylbutanoyl)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-3-methyl-1-oxobutan-2-yl)-5,5-dimethylthiazolidine-4-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1172.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 181.7±3.0 kJ/mol
Flash Point: 662.9±34.3 °C
Index of Refraction: 1.563
Molar Refractivity: 227.0±0.3 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 140.44
ACD/KOC (pH 5.5): 1198.13
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 140.44
ACD/KOC (pH 7.4): 1198.12
Polar Surface Area: 254 Å2
Polarizability: 90.0±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 699.0±3.0 cm3

Click to predict properties on the Chemicalize site


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