ChemSpider 2D Image | Dibenzyl (2R,2'R)-2,2'-(1,2-ethanediylbis{carbamoyl[(2R,4S)-5,5-dimethyl-1,3-thiazolidine-4,2-diyl]})bis{[(phenylacetyl)amino]acetate} | C48H56N6O8S2

Dibenzyl (2R,2'R)-2,2'-(1,2-ethanediylbis{carbamoyl[(2R,4S)-5,5-dimethyl-1,3-thiazolidine-4,2-diyl]})bis{[(phenylacetyl)amino]acetate}

  • Molecular FormulaC48H56N6O8S2
  • Average mass909.124 Da
  • Monoisotopic mass908.360107 Da
  • ChemSpider ID400591
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(2R,2'R)-2,2'-(1,2-Éthanediylbis{carbamoyl[(2R,4S)-5,5-diméthyl-1,3-thiazolidine-4,2-diyl]})bis{[(2-phénylacétyl)amino]acétate} de dibenzyle [French] [ACD/IUPAC Name]
2-Thiazolidineacetic acid, 4,4'-[1,2-ethanediylbis(iminocarbonyl)]bis[5,5-dimethyl-α-[(2-phenylacetyl)amino]-, bis(phenylmethyl) ester, (αR,2R,4S)- [ACD/Index Name]
Dibenzyl (2R,2'R)-2,2'-(1,2-ethanediylbis{carbamoyl[(2R,4S)-5,5-dimethyl-1,3-thiazolidine-4,2-diyl]})bis{[(phenylacetyl)amino]acetate} [ACD/IUPAC Name]
dibenzyl (2R,2'R)-2,2'-(ethane-1,2-diylbis{carbamoyl[(2R,4S)-5,5-dimethyl-1,3-thiazolidine-4,2-diyl]})bis{[(phenylacetyl)amino]ethanoate}
Dibenzyl-(2R,2'R)-2,2'-(1,2-ethandiylbis{carbamoyl[(2R,4S)-5,5-dimethyl-1,3-thiazolidin-4,2-diyl]})bis{[(phenylacetyl)amino]acetat} [German] [ACD/IUPAC Name]
[2R-[2α(R*),4.-β.-]]-4,4'-[1,2-Ethanediylbis[aminocarbonyl]]bis[5,5-dimethyl-α-[(phenylacetyl)amino]-2-thiazolidineacetic acid, benzyl ester]
[4-(2-{[2-(Benzyloxycarbonyl-phenylacetylamino-methyl)-5,5-dimethyl-thiazolidine-4-carbonyl]-amino}-ethylcarbamoyl)-5,5-dimethyl-thiazolidin-2-yl]-phenylacetylamino-acetic acid benzyl ester
Penicillin Et(NH)2 dimer

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

AIDS005368 [DBID]
AIDS-005368 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1121.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.6±3.0 kJ/mol
Flash Point: 632.2±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 247.9±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 4
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 840.05
ACD/KOC (pH 5.5): 2203.47
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8417.50
ACD/KOC (pH 7.4): 22079.43
Polar Surface Area: 244 Å2
Polarizability: 98.3±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 728.8±3.0 cm3

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