ChemSpider 2D Image | (2R,4S)-2-[(1R)-1-({(2R)-2-[(4-Ethyl-2,3-dioxo-1-piperazinyl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | C22H29N5O6S

(2R,4S)-2-[(1R)-1-({(2R)-2-[(4-Ethyl-2,3-dioxo-1-piperazinyl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC22H29N5O6S
  • Average mass491.561 Da
  • Monoisotopic mass491.183868 Da
  • ChemSpider ID25057036
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2R,4S)-2-[(1R)-1-({(2R)-2-[(4-Ethyl-2,3-dioxo-1-piperazinyl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(2R,4S)-2-[(1R)-1-({(2R)-2-[(4-Ethyl-2,3-dioxo-1-piperazinyl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
(2R,4S)-2-[(1R)-1-({(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
4-Thiazolidinecarboxylic acid, 2-[(1R)-1-[[(2R)-2-[(4-ethyl-2,3-dioxo-1-piperazinyl)amino]-2-phenylacetyl]amino]-2-oxoethyl]-5,5-dimethyl-, (2R,4S)- [ACD/Index Name]
Acide (2R,4S)-2-[(1R)-1-({(2R)-2-[(4-éthyl-2,3-dioxo-1-pipérazinyl)amino]-2-phénylacétyl}amino)-2-oxoéthyl]-5,5-diméthyl-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 125.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -2.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 347.8±5.0 cm3

Click to predict properties on the Chemicalize site