ChemSpider 2D Image | 1-({(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoethyl)-13-[(2S)-2-butanyl]-16-(4-hydroxybenzyl)-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}car bonyl)-L-prolyl-L-leucylglycinamide | C42H65N11O12S2

1-({(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoethyl)-13-[(2S)-2-butanyl]-16-(4-hydroxybenzyl)-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}car bonyl)-L-prolyl-L-leucylglycinamide

  • Molecular FormulaC42H65N11O12S2
  • Average mass980.162 Da
  • Monoisotopic mass979.425537 Da
  • ChemSpider ID30782644

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

1-({(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoethyl)-13-[(2S)-2-butanyl]-16-(4-hydroxybenzyl)-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}car bonyl)-L-prolyl-L-leucylglycinamid [German] [ACD/IUPAC Name]
1-({(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoethyl)-13-[(2S)-2-butanyl]-16-(4-hydroxybenzyl)-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}car bonyl)-L-prolyl-L-leucylglycinamide [ACD/IUPAC Name]
1-({(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoéthyl)-13-[(2S)-2-butanyl]-16-(4-hydroxybenzyl)-10-[(1R)-1-hydroxyéthyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}car bonyl)-L-prolyl-L-leucylglycinamide [French] [ACD/IUPAC Name]
26995-91-5 [RN]
Glycinamide, 1-[[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-[(1S)-1-methylpropyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pe ntaazacycloeicos-4-yl]carbonyl]-L-prolyl-L-leucyl- [ACD/Index Name]
(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
[97048-13-0] [RN]
97048-13-0 [RN]
MFCD01940931

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 1474.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 237.0±3.0 kJ/mol
    Flash Point: 845.3±34.3 °C
    Index of Refraction: 1.555
    Molar Refractivity: 247.3±0.3 cm3
    #H bond acceptors: 23
    #H bond donors: 15
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 3
    ACD/LogP: -3.57
    ACD/LogD (pH 5.5): -4.55
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.85
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 427 Å2
    Polarizability: 98.1±0.5 10-24cm3
    Surface Tension: 51.7±3.0 dyne/cm
    Molar Volume: 771.0±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement