ChemSpider 2D Image | (2S,4S)-2-[(R)-{[(2R)-2-Amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | C16H21N3O5S

(2S,4S)-2-[(R)-{[(2R)-2-Amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC16H21N3O5S
  • Average mass367.420 Da
  • Monoisotopic mass367.120178 Da
  • ChemSpider ID26328344

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,4S)-2-[(R)-{[(2R)-2-Amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(2S,4S)-2-[(R)-{[(2R)-2-Amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
2-Thiazolidineacetic acid, α-[[(2R)-2-amino-2-phenylacetyl]amino]-4-carboxy-5,5-dimethyl-, (αR,2S,4S)- [ACD/Index Name]
71774-55-5 [RN]
Acide (2S,4S)-2-[(R)-{[(2R)-2-amino-2-phénylacétyl]amino}(carboxy)méthyl]-5,5-diméthyl-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
(2R,4S)-2-[(1R)-1-[[(2R)-2-amino-1-oxo-2-phenylethyl]amino]-2-hydroxy-2-oxoethyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid
(2R,4S)-2-[(1R)-1-[[(2R)-2-amino-2-phenyl-acetyl]amino]-2-hydroxy-2-keto-ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
(2R,4S)-2-[(1R)-1-[[(2R)-2-amino-2-phenylacetyl]amino]-2-hydroxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
(2R,4S)-2-[(1R)-1-[[(2R)-2-amino-2-phenyl-acetyl]amino]-2-hydroxy-2-oxo-ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
(2R,4S)-2-[(1R)-1-[[(2R)-2-amino-2-phenyl-ethanoyl]amino]-2-hydroxy-2-oxo-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

P3W8A2O400 [DBID]
UNII-P3W8A2O400 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 707.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 381.4±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 92.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.69
ACD/LogD (pH 5.5): -1.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 269.2±3.0 cm3

Click to predict properties on the Chemicalize site


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