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Search term: LVZVUZUDRDMDPR-LVCGBWMPSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 2-(N~2~-Acetyl-L-arginyl-4-iodo-D-phenylalanyl)-N-[(2R)-1-amino-3-(4-nitrophenyl)-1-oxo-2-propanyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide | C36H42IN9O7

2-(N2-Acetyl-L-arginyl-4-iodo-D-phenylalanyl)-N-[(2R)-1-amino-3-(4-nitrophenyl)-1-oxo-2-propanyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

  • Molecular FormulaC36H42IN9O7
  • Average mass839.679 Da
  • Monoisotopic mass839.225159 Da
  • ChemSpider ID34217313
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

2-(N2-Acetyl-L-arginyl-4-iod-D-phenylalanyl)-N-[(2R)-1-amino-3-(4-nitrophenyl)-1-oxo-2-propanyl]-1,2,3,4-tetrahydro-3-isochinolincarboxamid [German] [ACD/IUPAC Name]
2-(N2-Acétyl-L-arginyl-4-iodo-D-phénylalanyl)-N-[(2R)-1-amino-3-(4-nitrophényl)-1-oxo-2-propanyl]-1,2,3,4-tétrahydro-3-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
2-(N2-Acetyl-L-arginyl-4-iodo-D-phenylalanyl)-N-[(2R)-1-amino-3-(4-nitrophenyl)-1-oxo-2-propanyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide [ACD/IUPAC Name]
3-Isoquinolinecarboxamide, 2-[(2R)-2-[[(2S)-2-(acetylamino)-5-[(aminoiminomethyl)amino]-1-oxopentyl]amino]-3-(4-iodophenyl)-1-oxopropyl]-N-[(1R)-2-amino-1-[(4-nitrophenyl)methyl]-2-oxoethyl]-1,2,3,4-t etrahydro- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.699
Molar Refractivity: 202.6±0.5 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.66
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.66
Polar Surface Area: 258 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 64.8±7.0 dyne/cm
Molar Volume: 524.7±7.0 cm3

Click to predict properties on the Chemicalize site





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