ChemSpider 2D Image | 1-[(3,5-Dichlorophenyl)sulfonyl]-L-prolyl-O-(1H-tetrazol-5-ylmethyl)-L-tyrosine | C22H22Cl2N6O6S

1-[(3,5-Dichlorophenyl)sulfonyl]-L-prolyl-O-(1H-tetrazol-5-ylmethyl)-L-tyrosine

  • Molecular FormulaC22H22Cl2N6O6S
  • Average mass569.418 Da
  • Monoisotopic mass568.069885 Da
  • ChemSpider ID19631084

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(3,5-Dichlorophenyl)sulfonyl]-L-prolyl-O-(1H-tetrazol-5-ylmethyl)-L-tyrosine [ACD/IUPAC Name]
1-[(3,5-Dichlorophényl)sulfonyl]-L-prolyl-O-(1H-tétrazol-5-ylméthyl)-L-tyrosine [French] [ACD/IUPAC Name]
1-[(3,5-Dichlorphenyl)sulfonyl]-L-prolyl-O-(1H-tetrazol-5-ylmethyl)-L-tyrosin [German] [ACD/IUPAC Name]
L-Tyrosine, 1-[(3,5-dichlorophenyl)sulfonyl]-L-prolyl-O-(1H-tetrazol-5-ylmethyl)- [ACD/Index Name]
(S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-pyrrolidine-2-carbonyl]-amino}-3-[4-(1H-tetrazol-5-ylmethoxy)-phenyl]-propionic acid
CHEMBL289276
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL289276/

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.653
Molar Refractivity: 132.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.75
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 79.1±3.0 dyne/cm
Molar Volume: 362.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement