ChemSpider 2D Image | 5-Oxo-L-prolyl-L-leucyl-L-tyrosyl-L-alpha-glutamyl-L-asparaginyl-L-lysyl-L-prolyl-N~5~-(diaminomethylene)-L-ornithine | C46H71N13O14

5-Oxo-L-prolyl-L-leucyl-L-tyrosyl-L-α-glutamyl-L-asparaginyl-L-lysyl-L-prolyl-N5-(diaminomethylene)-L-ornithine

  • Molecular FormulaC46H71N13O14
  • Average mass1030.135 Da
  • Monoisotopic mass1029.524292 Da
  • ChemSpider ID170009

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

5-Oxo-L-prolyl-L-leucyl-L-tyrosyl-L-α-glutamyl-L-asparaginyl-L-lysyl-L-prolyl-N5-(diaminomethylen)-L-ornithin [German] [ACD/IUPAC Name]
5-Oxo-L-prolyl-L-leucyl-L-tyrosyl-L-α-glutamyl-L-asparaginyl-L-lysyl-L-prolyl-N5-(diaminomethylene)-L-ornithine [ACD/IUPAC Name]
5-Oxo-L-prolyl-L-leucyl-L-tyrosyl-L-α-glutamyl-L-asparaginyl-L-lysyl-L-prolyl-N5-(diaminométhylène)-L-ornithine [French] [ACD/IUPAC Name]
L-Ornithine, 5-oxo-L-prolyl-L-leucyl-L-tyrosyl-L-α-glutamyl-L-asparaginyl-L-lysyl-L-prolyl-N5-(diaminomethylene)- [ACD/Index Name]
(4S)-4-{[(1S)-1-{[(2S)-6-AMINO-1-[(2S)-2-{[(1S)-1-CARBOXY-4-[(DIAMINOMETHYLIDENE)AMINO]BUTYL]CARBAMOYL}PYRROLIDIN-1-YL]-1-OXOHEXAN-2-YL]CARBAMOYL}-2-CARBAMOYLETHYL]CARBAMOYL}-4-[(2S)-3-(4-HYDROXYPHENYL)-2-[(2S)-4-METHYL-2-{[(2S)-5-OXOPYRROLIDIN-2-YL]FORMAMIDO}PENTANAMIDO]PROPANAMIDO]BUTANOIC ACID
(4S)-5-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
5-oxo-L-Pro-L-Leu-L-Tyr-L-Glu-L-Asn-L-Lys-L-Pro-L-Arg
5-oxo-L-prolyl-L-leucyl-L-tyrosyl-5-oxidanidyl-5-oxidanylidene-L-norvalyl-L-asparaginyl-6-azaniumyl-L-norleucyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-carboxylatobutyl]-L-prolinamide
5-Oxo-L-prolyl-L-leucyl-L-tyrosyl-L-a-glutamyl-L-asparaginyl-L-lysyl-L-prolyl-N5-(diaminomethylene)-L-ornithine
More...
  • Miscellaneous

    • Chemical Class:

      A peptide zwitterion that is the dizwitterionic form of neurotensin (1-8) having both carboxy groups deprotonated and the side-chains of L-lysyl and L-arginine protonated. It is the major species at p H 7.3. ChEBI CHEBI:147393, CHEBI:149493
      An 8 amino acid peptide fragment of neurotensin. ChEBI CHEBI:147393, CHEBI:149493

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: 1.672
Molar Refractivity: 254.5±0.5 cm3
#H bond acceptors: 27
#H bond donors: 18
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: -2.71
ACD/LogD (pH 5.5): -6.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 452 Å2
Polarizability: 100.9±0.5 10-24cm3
Surface Tension: 68.0±7.0 dyne/cm
Molar Volume: 679.6±7.0 cm3

Click to predict properties on the Chemicalize site


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