Found 1 result

Search term: MBXBICVKLVYNKD-XFTNXAEASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Cyclo[3-(2-naphthyl)-L-alanylglycyl-D-tyrosyl-L-arginyl-L-arginyl] | C36H47N11O6

Cyclo[3-(2-naphthyl)-L-alanylglycyl-D-tyrosyl-L-arginyl-L-arginyl]

  • Molecular FormulaC36H47N11O6
  • Average mass729.828 Da
  • Monoisotopic mass729.371094 Da
  • ChemSpider ID4439895

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1',2-{[(2S,5S,8S,14R)-14-(4-hydroxybenzyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecane-2,5-diyl]dipropane-3,1-diyl}diguanidine (non-preferred name)
606968-52-9 [RN]
Cyclo[3-(2-naphthalenyl)-L-alanylglycyl-D-tyrosyl-L-arginyl-L-arginyl] [ACD/Index Name]
Cyclo[3-(2-naphthyl)-L-alanylglycyl-D-tyrosyl-L-arginyl-L-arginyl] [German] [ACD/IUPAC Name]
Cyclo[3-(2-naphthyl)-L-alanylglycyl-D-tyrosyl-L-arginyl-L-arginyl] [ACD/IUPAC Name]
Cyclo[3-(2-naphtyl)-L-alanylglycyl-D-tyrosyl-L-arginyl-L-arginyl] [French] [ACD/IUPAC Name]
N-{3-[(2S,5S,8S,14R)-5-(3-carbamimidamidopropyl)-14-[(4-hydroxyphenyl)methyl]-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl]propyl}guanidine
N-{3-[(2S,5S,8S,14R)-5-(3-carbamimidamidopropyl)-14-[(4-hydroxyphenyl)methyl]-8-[(naphthalen-2-yl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl]propyl}guanidine
2,2'-(((2S,5S,8S,14R)-14-(4-hydroxybenzyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecane-2,5-diyl)bis(propane-3,1-diyl))diguanidine
2-[3-[(2S,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

FC 131 [DBID]
AIDS228435 [DBID]
AIDS-228435 [DBID]
Fc-131 [DBID]

    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: 1.696
    Molar Refractivity: 192.4±0.5 cm3
    #H bond acceptors: 17
    #H bond donors: 14
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 3
    ACD/LogP: -1.09
    ACD/LogD (pH 5.5): -3.60
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.60
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 290 Å2
    Polarizability: 76.3±0.5 10-24cm3
    Surface Tension: 66.2±7.0 dyne/cm
    Molar Volume: 500.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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