ChemSpider 2D Image | N-[(2S)-2-{[(2S)-6-Amino-2-{[(2S)-2-({[(2S)-1-{N~2~-[(2S,5S,8S,14S)-16-[(2S)-1-(N~2~-{(5S,8S,11S,14S,17S,20S,23S,26S,29R)-29-amino-11-benzyl-8-(3-carbamimidamidopropyl)-17-(2-carboxyethyl)-1,4,7,10,13 ,16,19,22,25,28,30-undecahydroxy-26-(4-hydroxybenzyl)-23-(hydroxymethyl)-14-(1H-imidazol-5-ylmethyl)-5-(1H-indol-3-ylmethyl)-20-[2-(methylsulfanyl)ethyl]-3,6,9,12,15,18,21,24,27-nonaazatriaconta-3,6,9 ,12,15,18,21,24,27-nonaen-1-ylidene}-L-lysyl)-2-pyrrolidinyl]-5,8-bis(4-aminobutyl)-2-(3-carbamimidamidopropyl)-1,4,7,10,13,16-hexahydroxy-14-isopropyl-3,6,9,12,15-pentaazahexadeca-3,6,9,12,15-pentaen -1-ylidene]-L-arginyl}-2-pyrrolidinyl](hydroxy)methylene}amino)-1-hydroxy-3-methylbutylidene]amino}-1-hydroxyhexylidene]amino}-1-hydroxy-3-methylbutylidene]-L-tyrosyl-L-proline | C136H210N40O31S

N-[(2S)-2-{[(2S)-6-Amino-2-{[(2S)-2-({[(2S)-1-{N2-[(2S,5S,8S,14S)-16-[(2S)-1-(N2-{(5S,8S,11S,14S,17S,20S,23S,26S,29R)-29-amino-11-benzyl-8-(3-carbamimidamidopropyl)-17-(2-carboxyethyl)-1,4,7,10,13 ,16,19,22,25,28,30-undecahydroxy-26-(4-hydroxybenzyl)-23-(hydroxymethyl)-14-(1H-imidazol-5-ylmethyl)-5-(1H-indol-3-ylmethyl)-20-[2-(methylsulfanyl)ethyl]-3,6,9,12,15,18,21,24,27-nonaazatriaconta-3,6,9 ,12,15,18,21,24,27-nonaen-1-ylidene}-L-lysyl)-2-pyrrolidinyl]-5,8-bis(4-aminobutyl)-2-(3-carbamimidamidopropyl)-1,4,7,10,13,16-hexahydroxy-14-isopropyl-3,6,9,12,15-pentaazahexadeca-3,6,9,12,15-pentaen -1-ylidene]-L-arginyl}-2-pyrrolidinyl](hydroxy)methylene}amino)-1-hydroxy-3-methylbutylidene]amino}-1-hydroxyhexylidene]amino}-1-hydroxy-3-methylbutylidene]-L-tyrosyl-L-proline

  • Molecular FormulaC136H210N40O31S
  • Average mass2933.437 Da
  • Monoisotopic mass2931.580566 Da
  • ChemSpider ID57260353

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

18067-65-7 [RN]
MFCD09260772
SER-TYR-SER-MET-GLU-HIS-PHE-ARG-TRP-GLY-LYS-PRO-VAL-GLY-LYS-DLYS-ARG-ARG-PRO-VAL-LYS-VAL-TYR-PRO

    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: 1.681
    Molar Refractivity: 751.7±0.5 cm3
    #H bond acceptors: 71
    #H bond donors: 50
    #Freely Rotating Bonds: 96
    #Rule of 5 Violations: 4
    ACD/LogP: 11.16
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area: 1254 Å2
    Polarizability: 298.0±0.5 10-24cm3
    Surface Tension: 66.8±7.0 dyne/cm
    Molar Volume: 1986.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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