ChemSpider 2D Image | Deltorphin | C44H62N10O10S2

Deltorphin

  • Molecular FormulaC44H62N10O10S2
  • Average mass955.154 Da
  • Monoisotopic mass954.409180 Da
  • ChemSpider ID2299380

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

Deltorphin [Wiki]
Deltorphin A
Dermenkephalin
L-Tyrosyl-D-methionyl-L-phenylalanyl-L-histidyl-L-leucyl-L-methionyl-L-α-asparagin [German] [ACD/IUPAC Name]
L-Tyrosyl-D-methionyl-L-phenylalanyl-L-histidyl-L-leucyl-L-methionyl-L-α-asparagine [ACD/IUPAC Name]
L-Tyrosyl-D-méthionyl-L-phénylalanyl-L-histidyl-L-leucyl-L-méthionyl-L-α-asparagine [French] [ACD/IUPAC Name]
L-α-Asparagine, L-tyrosyl-D-methionyl-L-phenylalanyl-L-histidyl-L-leucyl-L-methionyl- [ACD/Index Name]
Tyr-D-met-phe-his-leu-met-asp-NH2
(3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanoic acid
(3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-AMINO-3-(4-HYDROXYPHENYL)PROPANAMIDO]-4-(METHYLSULFANYL)BUTANAMIDO]-3-PHENYLPROPANAMIDO]-3-(3H-IMIDAZOL-4-YL)PROPANAMIDO]-4-METHYLPENTANAMIDO]-4-(METHYLSULFANYL)BUTANAMIDO]-3-CARBAMOYLPROPANOIC ACID
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 1425.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 227.7±3.0 kJ/mol
    Flash Point: 816.0±34.3 °C
    Index of Refraction: 1.607
    Molar Refractivity: 250.3±0.3 cm3
    #H bond acceptors: 20
    #H bond donors: 13
    #Freely Rotating Bonds: 29
    #Rule of 5 Violations: 3
    ACD/LogP: 1.96
    ACD/LogD (pH 5.5): -2.03
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 381 Å2
    Polarizability: 99.2±0.5 10-24cm3
    Surface Tension: 62.0±3.0 dyne/cm
    Molar Volume: 725.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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