ChemSpider 2D Image | N-{[4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)PHENYL]ACETYL}-L-PHENYLALANYL-4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)-L-PHENYLALANINAMIDE | C32H29N5O9S2

N-{[4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)PHENYL]ACETYL}-L-PHENYLALANYL-4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)-L-PHENYLALANINAMIDE

  • Molecular FormulaC32H29N5O9S2
  • Average mass691.731 Da
  • Monoisotopic mass691.140686 Da
  • ChemSpider ID8238262

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[2-[4-(2,3-dihydro-1,1-dioxido-3-oxo-5-isothiazolyl)phenyl]acetyl]-L-phenylalanyl-4-(2,3-dihydro-1,1-dioxido-3-oxo-5-isothiazolyl)- [ACD/Index Name]
N-{[4-(1,1-Dioxido-3-oxo-2,3-dihydro-1,2-thiazol-5-yl)phenyl]acetyl}-L-phenylalanyl-4-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-thiazol-5-yl)-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-{[4-(1,1-Dioxido-3-oxo-2,3-dihydro-1,2-thiazol-5-yl)phenyl]acetyl}-L-phenylalanyl-4-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-thiazol-5-yl)-L-phenylalaninamide [ACD/IUPAC Name]
N-{[4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)PHENYL]ACETYL}-L-PHENYLALANYL-4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)-L-PHENYLALANINAMIDE
N-{2-[4-(3-Oxo-1,1-dioxydo-2,3-dihydro-1,2-thiazol-5-yl)phényl]acétyl}-L-phénylalanyl-4-(3-oxo-1,1-dioxydo-2,3-dihydro-1,2-thiazol-5-yl)-L-phénylalaninamide [French] [ACD/IUPAC Name]
F17
ISOTHIAZOLIDANONE ANALOGUE
IZD 4

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 172.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.27
ACD/LogD (pH 5.5): -2.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 245 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 70.0±3.0 dyne/cm
Molar Volume: 463.8±3.0 cm3

Click to predict properties on the Chemicalize site


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