ChemSpider 2D Image | (2S,4S)-2-[(S)-Carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | C23H29N5O8S

(2S,4S)-2-[(S)-Carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC23H29N5O8S
  • Average mass535.570 Da
  • Monoisotopic mass535.173706 Da
  • ChemSpider ID107450432

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,4S)-2-[(S)-Carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(2S,4S)-2-[(S)-Carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
2-Thiazolidineacetic acid, 4-carboxy-α-[[(2R)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-2-phenylacetyl]amino]-5,5-dimethyl-, (αS,2S,4S)- [ACD/Index Name]
Acide (2S,4S)-2-[(S)-carboxy{[(2R)-2-{[(4-éthyl-2,3-dioxo-1-pipérazinyl)carbonyl]amino}-2-phénylacétyl]amino}méthyl]-5,5-diméthyl-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 130.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.28
ACD/LogD (pH 5.5): -2.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 379.7±3.0 cm3

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