Found 1 result

Search term: ZRHYLFBORVIBEU-RACKDBBVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N~2~-Acetyl-N~1~-[(2R)-1-{(2S)-2-{3-[(diaminomethylene)amino]propyl}-4-[(2S)-1-(methylamino)-3-(2-naphthyl)-1-oxo-2-propanyl]-3-oxo-1-piperazinyl}-3-(4-fluorophenyl)-1-oxo-2-propanyl]-L-glutamamide | C38H48FN9O6

N2-Acetyl-N1-[(2R)-1-{(2S)-2-{3-[(diaminomethylene)amino]propyl}-4-[(2S)-1-(methylamino)-3-(2-naphthyl)-1-oxo-2-propanyl]-3-oxo-1-piperazinyl}-3-(4-fluorophenyl)-1-oxo-2-propanyl]-L-glutamamide

  • Molecular FormulaC38H48FN9O6
  • Average mass745.843 Da
  • Monoisotopic mass745.371155 Da
  • ChemSpider ID23275454

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

N2-Acetyl-N1-[(2R)-1-{(2S)-2-(3-carbamimidamidopropyl)-4-[(2S)-1-(methylamino)-3-(2-naphthyl)-1-oxo-2-propanyl]-3-oxo-1-piperazinyl}-3-(4-fluorphenyl)-1-oxo-2-propanyl]-L-glutamamid [German] [ACD/IUPAC Name]
N2-Acétyl-N1-[(2R)-1-{(2S)-2-(3-carbamimidamidopropyl)-4-[(2S)-1-(méthylamino)-3-(2-naphtyl)-1-oxo-2-propanyl]-3-oxo-1-pipérazinyl}-3-(4-fluorophényl)-1-oxo-2-propanyl]-L-glutamamide [French] [ACD/IUPAC Name]
N2-Acetyl-N1-[(2R)-1-{(2S)-2-{3-[(diaminomethylene)amino]propyl}-4-[(2S)-1-(methylamino)-3-(2-naphthyl)-1-oxo-2-propanyl]-3-oxo-1-piperazinyl}-3-(4-fluorophenyl)-1-oxo-2-propanyl]-L-glutamamide [ACD/IUPAC Name]
N2-acetyl-N1-[(2R)-1-{(2S)-2-{3-[(diaminomethylidene)amino]propyl}-4-[(2S)-1-(methylamino)-3-(naphthalen-2-yl)-1-oxopropan-2-yl]-3-oxopiperazin-1-yl}-3-(4-fluorophenyl)-1-oxopropan-2-yl]-L-glutamamide
Pentanediamide, 2-(acetylamino)-N1-[(1R)-2-[(2S)-2-[3-[(diaminomethylene)amino]propyl]-4-[(1S)-2-(methylamino)-1-(2-naphthalenylmethyl)-2-oxoethyl]-3-oxo-1-piperazinyl]-1-[(4-fluorophenyl)methyl]-2- 
oxoethyl]-, (2S)- [ACD/Index Name]
pentanediamide, 2-(acetylamino)-N1-[(1R)-2-[(2S)-2-[3-[(diaminomethylene)amino]propyl]-4-[(1S)-2-(methylamino)-1-(2-naphthalenylmethyl)-2-oxoethyl]-3-oxo-1-piperazinyl]-1-[(4-fluorophenyl)methyl]-2-oxoethyl]-, (2S)-
(S)-2-acetamido-N1-((R)-3-(4-fluorophenyl)-1-((S)-2-(3-guanidinopropyl)-4-((S)-1-(methylamino)-3-(naphthalen-2-yl)-1-oxopropan-2-yl)-3-oxopiperazin-1-yl)-1-oxopropan-2-yl)pentanediamide
CHEMBL215833

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: 1.648
Molar Refractivity: 198.0±0.5 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 1.94
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): -0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.39
Polar Surface Area: 235 Å2
Polarizability: 78.5±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 544.0±7.0 cm3

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