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Search term: TUMYCYGEAGXTOE-ONLUTQHPSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-Acetyl-L-tyrosyl-L-alpha-glutamyl-N-[1-carboxy-4-({[(7,7-dihydroxy-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl}amino)-3-oxo-2-butanyl]-L-valinamide | C34H47N5O15S

N-Acetyl-L-tyrosyl-L-α-glutamyl-N-[1-carboxy-4-({[(7,7-dihydroxy-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl}amino)-3-oxo-2-butanyl]-L-valinamide

  • Molecular FormulaC34H47N5O15S
  • Average mass797.826 Da
  • Monoisotopic mass797.278931 Da
  • ChemSpider ID23197903

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

L-Valinamide, N-acetyl-L-tyrosyl-L-α-glutamyl-N-[1-(carboxymethyl)-3-[[[(7,7-dihydroxy-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl]amino]-2-oxopropyl]- [ACD/Index Name]
N-Acetyl-L-tyrosyl-L-α-glutamyl-N-[1-carboxy-4-({[(7,7-dihydroxy-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl}amino)-3-oxo-2-butanyl]-L-valinamid [German] [ACD/IUPAC Name]
N-Acetyl-L-tyrosyl-L-α-glutamyl-N-[1-carboxy-4-({[(7,7-dihydroxy-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl}amino)-3-oxo-2-butanyl]-L-valinamide [ACD/IUPAC Name]
N-Acétyl-L-tyrosyl-L-α-glutamyl-N-[1-carboxy-4-({[(7,7-dihydroxy-2-oxobicyclo[2.2.1]hept-1-yl)méthyl]sulfonyl}amino)-3-oxo-2-butanyl]-L-valinamide [French] [ACD/IUPAC Name]
N-acetyl-L-tyrosyl-L-α-glutamyl-N-[1-carboxy-4-({[(7,7-dihydroxy-2-oxobicyclo[2.2.1]hept-1-yl)methyl]sulfonyl}amino)-3-oxobutan-2-yl]-L-valinamide
3-(2-{2-[2-Acetylamino-3-(4-hydroxy-phenyl)-propionylamino]-4-carboxy-butyrylamino}-3-methyl-butyrylamino)-5-(7,7-dihydroxy-2-oxo-bicyclo[2.2.1]hept-1-ylmethanesulfonylamino)-4-oxo-pentanoic acid
CHEMBL267338

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.611
Molar Refractivity: 187.9±0.4 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: -1.12
ACD/LogD (pH 5.5): -4.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 340 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 75.1±3.0 dyne/cm
Molar Volume: 541.0±3.0 cm3

Click to predict properties on the Chemicalize site


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