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

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

  • Molecular FormulaC70H92ClN17O14
  • Average mass1431.038 Da
  • Monoisotopic mass1429.669800 Da
  • ChemSpider ID111309575

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

L-Alaninamide, N-acetyl-3-(2-naphthalenyl)-L-alanyl-4-chloro-L-phenylalanyl-3-(3-pyridinyl)-L-alanyl-D-seryl-D-tyrosyl-N5-(aminocarbonyl)-L-ornithyl-D-leucyl-N5-(diaminomethylene)-D-ornithyl-D-pro
 lyl- [ACD/Index Name]
N-Acetyl-3-(2-naphthyl)-L-alanyl-4-chlor-L-phenylalanyl-3-(3-pyridinyl)-L-alanyl-D-seryl-D-tyrosyl-N5-carbamoyl-L-ornithyl-D-leucyl-N5-(diaminomethylen)-D-ornithyl-D-prolyl-L-alaninamid [German] [ACD/IUPAC Name]
N-Acetyl-3-(2-naphthyl)-L-alanyl-4-chloro-L-phenylalanyl-3-(3-pyridinyl)-L-alanyl-D-seryl-D-tyrosyl-N5-carbamoyl-L-ornithyl-D-leucyl-N5-(diaminomethylene)-D-ornithyl-D-prolyl-L-alaninamide [ACD/IUPAC Name]
N-Acétyl-3-(2-naphtyl)-L-alanyl-4-chloro-L-phénylalanyl-3-(3-pyridinyl)-L-alanyl-D-séryl-D-tyrosyl-N5-carbamoyl-L-ornithyl-D-leucyl-N5-(diaminométhylène)-D-ornithyl-D-prolyl-L-alaninamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.668
Molar Refractivity: 373.9±0.5 cm3
#H bond acceptors: 31
#H bond donors: 20
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 3.19
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 498 Å2
Polarizability: 148.2±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 1003.4±7.0 cm3

Click to predict properties on the Chemicalize site


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