ChemSpider 2D Image | (4r)-N-Tert-Butyl-3-{(2s,3s)-2-Hydroxy-3-[(3-Hydroxy-2-Methylbenzoyl)amino]-4-Phenylbutanoyl}-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxamide | C28H37N3O5S

(4r)-N-Tert-Butyl-3-{(2s,3s)-2-Hydroxy-3-[(3-Hydroxy-2-Methylbenzoyl)amino]-4-Phenylbutanoyl}-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxamide

  • Molecular FormulaC28H37N3O5S
  • Average mass527.675 Da
  • Monoisotopic mass527.245361 Da
  • ChemSpider ID135784

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R)-3-{(2S,3S)-2-Hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methyl-2-propanyl)-1,3-thiazolidin-4-carboxamid [German] [ACD/IUPAC Name]
(4R)-3-{(2S,3S)-2-Hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methyl-2-propanyl)-1,3-thiazolidine-4-carboxamide [ACD/IUPAC Name]
(4R)-3-{(2S,3S)-2-Hydroxy-3-[(3-hydroxy-2-méthylbenzoyl)amino]-4-phénylbutanoyl}-5,5-diméthyl-N-(2-méthyl-2-propanyl)-1,3-thiazolidine-4-carboxamide [French] [ACD/IUPAC Name]
(4r)-N-Tert-Butyl-3-{(2s,3s)-2-Hydroxy-3-[(3-Hydroxy-2-Methylbenzoyl)amino]-4-Phenylbutanoyl}-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxamide
4-Thiazolidinecarboxamide, N-(1,1-dimethylethyl)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-1-oxo-4-phenylbutyl]-5,5-dimethyl-, (4R)- [ACD/Index Name]
(4R)-3-[(2S,3S)-2-HYDROXY-3-[(3-HYDROXY-2-METHYL-BENZOYL)AMINO]-4-PHENYL-BUTANOYL]-5,5-DIMETHYL-N-TERT-BUTYL-THIAZOLIDINE-4-CARBOXAMIDE
(4R)-N-Tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
186537-85-9 [RN]
4-Thiazolidinecarboxamide, N-(1,1-dimethylethyl)-3-((2S,3S)-2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-1-oxo-4-phenylbutyl)-5,5-dimethyl-,(4R)-
N-(3-{(4R)-4-[N-(tert-butyl)carbamoyl]-5,5-dimethyl(1,3-thiazolidin-3-yl)}(1S,2S)-2-hydroxy-3-oxo-1-benzylpropyl)(3-hydroxy-2-methylphenyl)carboxamide

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

AIDS070939 [DBID]
AIDS-070939 [DBID]
JE-533 [DBID]
KNI-577 [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: 790.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 431.6±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 371.23
ACD/KOC (pH 5.5): 2404.04
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 368.40
ACD/KOC (pH 7.4): 2385.74
Polar Surface Area: 144 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 430.0±3.0 cm3

Click to predict properties on the Chemicalize site


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