ChemSpider 2D Image | N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N~5~-carbamoyl-D-ornithyl-L-norleucyl-L-arginyl-L-prolyl-D-alaninamide | C70H92ClN17O14

N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N5-carbamoyl-D-ornithyl-L-norleucyl-L-arginyl-L-prolyl-D-alaninamide

  • Molecular FormulaC70H92ClN17O14
  • Average mass1431.038 Da
  • Monoisotopic mass1429.669800 Da
  • ChemSpider ID17326027
  • defined stereocentres - 10 of 10 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-L-tyrosyl-N5-(aminocarbonyl)-D-ornithyl-L-norleucyl-L-arginyl-L-prolyl- [ACD/Index Name]
N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chlor-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N5-carbamoyl-D-ornithyl-L-norleucyl-L-arginyl-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-L-tyrosyl-N5-carbamoyl-D-ornithyl-L-norleucyl-L-arginyl-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-L-tyrosyl-N5-carbamoyl-D-ornithyl-L-norleucyl-L-arginyl-L-prolyl-D-alaninamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.668
Molar Refractivity: 374.1±0.5 cm3
#H bond acceptors: 31
#H bond donors: 20
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 2.88
ACD/LogD (pH 5.5): -1.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 496 Å2
Polarizability: 148.3±0.5 10-24cm3
Surface Tension: 61.6±7.0 dyne/cm
Molar Volume: 1004.3±7.0 cm3

Click to predict properties on the Chemicalize site






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