ChemSpider 2D Image | L-alpha-Aspartyl-L-leucyl-L-lysyl-L-alpha-glutamyl-N~5~-(diaminomethylene)-L-ornithyl-L-lysyl-L-alpha-aspartyl-L-valyl-L-tyrosine | C51H84N14O17

L-α-Aspartyl-L-leucyl-L-lysyl-L-α-glutamyl-N5-(diaminomethylene)-L-ornithyl-L-lysyl-L-α-aspartyl-L-valyl-L-tyrosine

  • Molecular FormulaC51H84N14O17
  • Average mass1165.296 Da
  • Monoisotopic mass1164.613892 Da
  • ChemSpider ID398233

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

L-Tyrosine, L-α-aspartyl-L-leucyl-L-lysyl-L-α-glutamyl-N5-(diaminomethylene)-L-ornithyl-L-lysyl-L-α-aspartyl-L-valyl- [ACD/Index Name]
L-α-Asparagyl-L-leucyl-L-lysyl-L-α-glutamyl-N5-(diaminomethylen)-L-ornithyl-L-lysyl-L-α-asparagyl-L-valyl-L-tyrosin [German] [ACD/IUPAC Name]
L-α-Aspartyl-L-leucyl-L-lysyl-L-α-glutamyl-N5-(diaminomethylene)-L-ornithyl-L-lysyl-L-α-aspartyl-L-valyl-L-tyrosine [ACD/IUPAC Name]
L-α-Aspartyl-L-leucyl-L-lysyl-L-α-glutamyl-N5-(diaminométhylène)-L-ornithyl-L-lysyl-L-α-aspartyl-L-valyl-L-tyrosine [French] [ACD/IUPAC Name]
(4S)-4-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-2-carboxy-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-4-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-methylpentanamido]hexanamido]butanoic acid
123167-52-2 [RN]
Asp-Leu-Lys-Glu-Arg-Lys-Asp-Val-Tyr
DLKERKDVY
L-Tyrosine,N-[N-[N-[N2-[N2-[N-[N2-(N-L-a-aspartyl-L-leucyl)-L-lysyl]-L-a-glutamyl]-L-arginyl]-L-lysyl]-L-a-aspartyl]-L-valyl]- (9CI)
Nonapeptide 3

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

AIDS001259 [DBID]
AIDS-001259 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.636
Molar Refractivity: 285.9±0.5 cm3
#H bond acceptors: 31
#H bond donors: 23
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -5.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 545 Å2
Polarizability: 113.3±0.5 10-24cm3
Surface Tension: 63.4±7.0 dyne/cm
Molar Volume: 797.0±7.0 cm3

Click to predict properties on the Chemicalize site


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