ChemSpider 2D Image | (2S)-N-[(2S,5S,8S,11S,17R,20S)-25-Amino-3,6,9,12,15,18-hexahydroxy-11-(4-hydroxybenzyl)-20-{[(2S)-2-{hydroxy[(2-hydroxy-2-iminoethyl)imino]methyl}-1-pyrrolidinyl]carbonyl}-8-(hydroxymethyl)-1-(1H-imid azol-5-yl)-25-imino-5-(1H-indol-3-ylmethyl)-17-isobutyl-4,7,10,13,16,19,24-heptaazapentacosa-3,6,9,12,15,18-hexaen-2-yl]-5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboximidic acid | C55H75N17O13

(2S)-N-[(2S,5S,8S,11S,17R,20S)-25-Amino-3,6,9,12,15,18-hexahydroxy-11-(4-hydroxybenzyl)-20-{[(2S)-2-{hydroxy[(2-hydroxy-2-iminoethyl)imino]methyl}-1-pyrrolidinyl]carbonyl}-8-(hydroxymethyl)-1-(1H-imid azol-5-yl)-25-imino-5-(1H-indol-3-ylmethyl)-17-isobutyl-4,7,10,13,16,19,24-heptaazapentacosa-3,6,9,12,15,18-hexaen-2-yl]-5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboximidic acid

  • Molecular FormulaC55H75N17O13
  • Average mass1182.290 Da
  • Monoisotopic mass1181.572998 Da
  • ChemSpider ID57260370

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S)-N-[(2S,5S,8S,11S,17R,20S)-25-Amino-3,6,9,12,15,18-hexahydroxy-11-(4-hydroxybenzyl)-20-{[(2S)-2-{hydroxy[(2-hydroxy-2-iminoethyl)imino]methyl}-1-pyrrolidinyl]carbonyl}-8-(hydroxymethyl)-1-(1H-imid azol-5-yl)-25-imino-5-(1H-indol-3-ylmethyl)-17-isobutyl-4,7,10,13,16,19,24-heptaazapentacosa-3,6,9,12,15,18-hexaen-2-yl]-5-hydroxy-3,4-dihydro-2H-pyrrol-2-carboximidsäure [German] [ACD/IUPAC Name]
(2S)-N-[(2S,5S,8S,11S,17R,20S)-25-Amino-3,6,9,12,15,18-hexahydroxy-11-(4-hydroxybenzyl)-20-{[(2S)-2-{hydroxy[(2-hydroxy-2-iminoethyl)imino]methyl}-1-pyrrolidinyl]carbonyl}-8-(hydroxymethyl)-1-(1H-imid azol-5-yl)-25-imino-5-(1H-indol-3-ylmethyl)-17-isobutyl-4,7,10,13,16,19,24-heptaazapentacosa-3,6,9,12,15,18-hexaen-2-yl]-5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboximidic acid [ACD/IUPAC Name]
1H-Indole-3-propanimidic acid, N-[(1S,4S,10R,13S)-18-amino-2,5,8,11-tetrahydroxy-13-[[(2S)-2-[hydroxy[(2-hydroxy-2-iminoethyl)imino]methyl]-1-pyrrolidinyl]carbonyl]-1-(hydroxymethyl)-4-[(4-hydroxyphen ;yl)methyl]-18-imino-10-(2-methylpropyl)-3,6,9,12,17-pentaazaoctadeca-2,5,8,11-tetraen-1-yl]-α-[[(2S)-2-[[[(2S)-3,4-dihydro-5-hydroxy-2H-pyrrol-2-yl]hydroxymethylene]amino]-1-hydroxy-3-(1H-imidazol -5-yl)propylidene]amino]-, (αS)- [ACD/Index Name]
Acide (2S)-N-[(2S,5S,8S,11S,17R,20S)-25-amino-3,6,9,12,15,18-hexahydroxy-11-(4-hydroxybenzyl)-20-{[(2S)-2-{hydroxy[(2-hydroxy-2-iminoéthyl)imino]méthyl}-1-pyrrolidinyl]carbonyl}-8-(hydroxyméthyl)-1-(1 H-imidazol-5-yl)-25-imino-5-(1H-indol-3-ylméthyl)-17-isobutyl-4,7,10,13,16,19,24-heptaazapentacosa-3,6,9,12,15,18-hexaén-2-yl]-5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboximidique [French] [ACD/IUPAC Name]
(D-LEU7)-LHRH
53728-75-9 [RN]
7-?D-?leucine-Luteinizing hormone-?releasing factor (swine)? (9CI)
pyr-his-trp-ser-tyr-gly-d-leu-arg-pro-gly-nh2

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 1426.3±75.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 227.8±3.0 kJ/mol
    Flash Point: 816.4±37.1 °C
    Index of Refraction: 1.713
    Molar Refractivity: 300.9±0.5 cm3
    #H bond acceptors: 30
    #H bond donors: 19
    #Freely Rotating Bonds: 32
    #Rule of 5 Violations: 3
    ACD/LogP: 2.61
    ACD/LogD (pH 5.5): -2.66
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 505 Å2
    Polarizability: 119.3±0.5 10-24cm3
    Surface Tension: 70.2±7.0 dyne/cm
    Molar Volume: 767.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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