ChemSpider 2D Image | (2R,4S)-2-{(1R)-2-(Benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-N-[(2S)-1-hydroxy-3-phenyl-2-propanyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | C32H38N4O4S

(2R,4S)-2-{(1R)-2-(Benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-N-[(2S)-1-hydroxy-3-phenyl-2-propanyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

  • Molecular FormulaC32H38N4O4S
  • Average mass574.734 Da
  • Monoisotopic mass574.261353 Da
  • ChemSpider ID400654

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,4S)-2-{(1R)-2-(Benzylamino)-2-oxo-1-[(2-phénylacétyl)amino]éthyl}-N-[(2S)-1-hydroxy-3-phényl-2-propanyl]-5,5-diméthyl-1,3-thiazolidine-4-carboxamide [French] [ACD/IUPAC Name]
(2R,4S)-2-{(1R)-2-(Benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-N-[(2S)-1-hydroxy-3-phenyl-2-propanyl]-5,5-dimethyl-1,3-thiazolidin-4-carboxamid [German] [ACD/IUPAC Name]
(2R,4S)-2-{(1R)-2-(Benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-N-[(2S)-1-hydroxy-3-phenyl-2-propanyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide [ACD/IUPAC Name]
(2R,4S)-2-{(1R)-2-(benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
2-Thiazolidineacetamide, 4-[[[(1S)-2-hydroxy-1-(phenylmethyl)ethyl]amino]carbonyl]-5,5-dimethyl-α-[(2-phenylacetyl)amino]-N-(phenylmethyl)-, (αR,2R,4S)- [ACD/Index Name]
(2RS,4S)-2-{(1R)-2-(benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-N-[(1S)-1-benzyl-2-hydroxyethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
2-(Benzylcarbamoyl-phenylacetylamino-methyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid (1-benzyl-2-hydroxy-ethyl)-amide: butanate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL318815/

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

AIDS005469 [DBID]
AIDS-005469 [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: 912.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.1±3.0 kJ/mol
Flash Point: 505.9±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 162.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 162.26
ACD/KOC (pH 5.5): 1125.22
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 288.91
ACD/KOC (pH 7.4): 2003.46
Polar Surface Area: 145 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 472.7±3.0 cm3

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