ChemSpider 2D Image | N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-4-({[(4R)-2,6-dioxohexahydro-4-pyrimidinyl]carbonyl}amino)-L-phenylalanyl-4-(carbamoylamino)-D-phenylalanyl-L- leucyl-N~6~-isopropyl-L-lysyl-L-prolyl-D-alaninamide | C82H103ClN18O16

N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-4-({[(4R)-2,6-dioxohexahydro-4-pyrimidinyl]carbonyl}amino)-L-phenylalanyl-4-(carbamoylamino)-D-phenylalanyl-L- leucyl-N6-isopropyl-L-lysyl-L-prolyl-D-alaninamide

  • Molecular FormulaC82H103ClN18O16
  • Average mass1632.259 Da
  • Monoisotopic mass1630.748779 Da
  • ChemSpider ID17302485

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-4-[[[(4R)-hexahydro-2,6-dioxo-4-pyrimidinyl]carbonyl]amino]-L-phenylalanyl-4-[(aminocarbony ;l)amino]-D-phenylalanyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl- [ACD/Index Name]
N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chlor-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-4-({[(4R)-2,6-dioxohexahydro-4-pyrimidinyl]carbonyl}amino)-L-phenylalanyl-4-(carbamoylamino)-D-phenylalanyl-L-l ;eucyl-N6-isopropyl-L-lysyl-L-prolyl-D-alaninamid [German] [ACD/IUPAC Name]
N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-4-({[(4R)-2,6-dioxohexahydro-4-pyrimidinyl]carbonyl}amino)-L-phenylalanyl-4-(carbamoylamino)-D-phenylalanyl-L- ;leucyl-N6-isopropyl-L-lysyl-L-prolyl-D-alaninamide [ACD/IUPAC Name]
N-Acétyl-3-(2-naphtyl)-D-alanyl-4-chloro-D-phénylalanyl-3-(3-pyridinyl)-D-alanyl-L-séryl-4-({[(4R)-2,6-dioxohexahydro-4-pyrimidinyl]carbonyl}amino)-L-phénylalanyl-4-(carbamoylamino)-D-phénylalanyl-L-l ;eucyl-N6-isopropyl-L-lysyl-L-prolyl-D-alaninamide [French] [ACD/IUPAC Name]
Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(Hor)]-D-[Aph(Cbm)]-Leu-ILys-Pro-DAla-NH2
CHEMBL444381

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.620
Molar Refractivity: 432.8±0.3 cm3
#H bond acceptors: 34
#H bond donors: 19
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.66
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 1.12
ACD/KOC (pH 7.4): 4.97
Polar Surface Area: 513 Å2
Polarizability: 171.6±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 1231.3±3.0 cm3

Click to predict properties on the Chemicalize site


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