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Search term: FJSKRKLUQFIKJP-HWFRFQLBSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Nalpha-Acetyl-N-[(2R)-1-{(2S)-2-{3-[(diaminomethylene)amino]propyl}-4-[(2S)-1-(methylamino)-3-(2-naphthyl)-1-oxo-2-propanyl]-3-oxo-1-piperazinyl}-1-oxo-3-phenyl-2-propanyl]-L-histidinamide | C39H48N10O5

Nα-Acetyl-N-[(2R)-1-{(2S)-2-{3-[(diaminomethylene)amino]propyl}-4-[(2S)-1-(methylamino)-3-(2-naphthyl)-1-oxo-2-propanyl]-3-oxo-1-piperazinyl}-1-oxo-3-phenyl-2-propanyl]-L-histidinamide

  • Molecular FormulaC39H48N10O5
  • Average mass736.862 Da
  • Monoisotopic mass736.380920 Da
  • ChemSpider ID23275305

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-Piperazineacetamide, 4-[(2R)-2-[[(2S)-2-(acetylamino)-3-(1H-imidazol-4-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]-3-[3-[(diaminomethylene)amino]propyl]-N-methyl-α-(2-naphthalenylmethyl)-2-oxo- , (αS,3S)- [ACD/Index Name]
1-piperazineacetamide, 4-[(2R)-2-[[(2S)-2-(acetylamino)-3-(1H-imidazol-4-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]-3-[3-[(diaminomethylene)amino]propyl]-N-methyl-α-(2-naphthalenylmethyl)-2-oxo-, (αS,3S)-
Nα-Acetyl-N-[(2R)-1-{(2S)-2-(3-carbamimidamidopropyl)-4-[(2S)-1-(methylamino)-3-(2-naphthyl)-1-oxo-2-propanyl]-3-oxo-1-piperazinyl}-1-oxo-3-phenyl-2-propanyl]-L-histidinamid [German] [ACD/IUPAC Name]
Nα-Acétyl-N-[(2R)-1-{(2S)-2-(3-carbamimidamidopropyl)-4-[(2S)-1-(méthylamino)-3-(2-naphtyl)-1-oxo-2-propanyl]-3-oxo-1-pipérazinyl}-1-oxo-3-phényl-2-propanyl]-L-histidinamide [French] [ACD/IUPAC Name]
Nα-Acetyl-N-[(2R)-1-{(2S)-2-{3-[(diaminomethylene)amino]propyl}-4-[(2S)-1-(methylamino)-3-(2-naphthyl)-1-oxo-2-propanyl]-3-oxo-1-piperazinyl}-1-oxo-3-phenyl-2-propanyl]-L-histidinamide [ACD/IUPAC Name]
Nα-acetyl-N-[(2R)-1-{(2S)-2-{3-[(diaminomethylidene)amino]propyl}-4-[(2S)-1-(methylamino)-3-(naphthalen-2-yl)-1-oxopropan-2-yl]-3-oxopiperazin-1-yl}-1-oxo-3-phenylpropan-2-yl]-L-histidinamide
(S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-phenyl-propionyl}-3-(3-guanidino-propyl)-2-oxo-piperazin-1-yl]-N-methyl-3-naphthalen-2-yl-propionamide
CHEMBL212614

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: 1.671
Molar Refractivity: 203.5±0.5 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 2.27
ACD/LogD (pH 5.5): -1.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.80
Polar Surface Area: 221 Å2
Polarizability: 80.7±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 544.0±7.0 cm3

Click to predict properties on the Chemicalize site


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