ChemSpider 2D Image | NWQ5N31VKK | C72H101N17O26

NWQ5N31VKK

  • Molecular FormulaC72H101N17O26
  • Average mass1620.671 Da
  • Monoisotopic mass1619.710327 Da
  • ChemSpider ID10200644

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

103060-53-3 [RN]
L-α-Asparagine, N-(1-oxodecyl)-L-tryptophyl-D-asparaginyl-N-[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(1R)-2-carboxy-1-met hylethyl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacont-30-yl]- [ACD/Index Name]
N-Decanoyl-L-tryptophyl-D-asparaginyl-N-[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxy-2-propanyl]-9-(hydroxymethyl) ;-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontan-30-yl]-L-α-asparagin [German] [ACD/IUPAC Name]
N-Decanoyl-L-tryptophyl-D-asparaginyl-N-[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxy-2-propanyl]-9-(hydroxymethyl) ;-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontan-30-yl]-L-α-asparagine [ACD/IUPAC Name]
N-Decanoyl-L-tryptophyl-D-asparaginyl-N-[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophényl)-2-oxoéthyl]-24-(3-aminopropyl)-15,21-bis(carboxyméthyl)-6-[(2R)-1-carboxy-2-propanyl]-9-(hydroxyméthyl) ;-18,31-diméthyl-2,5,8,11,14,17,20,23,26,29-décaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohéntriacontan-30-yl]-L-α-asparagine [French] [ACD/IUPAC Name]
NWQ5N31VKK
-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontan-30-yl]-L-α-asparagine
2,2'-((3S,6S,9R,15S,18R,21S,24S,30S,31R)-30-((S)-2-((R)-4-Amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-3-carboxypropanamido)-3-(2-(2-aminophenyl)-2-oxoethyl)-24-(3-aminopropyl)-6-((R)-1-carboxypropan-2-yl)-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontane-15,21-diyl)diacetic acid
Cidecin
Cubicin [Trade name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6127 [DBID]
  • Miscellaneous

    • Bio Activity:

      Antibacterial MedChem Express HY-B0108
      Anti-infection; MedChem Express HY-B0108
      Daptomycin is a novel lipopeptide antimicrobial agent with activity against Gram-positive organisms, including multi-resistant strains. MedChem Express
      Daptomycin is a novel lipopeptide antimicrobial agent with activity against Gram-positive organisms, including multi-resistant strains.;Target: AntibacterialDaptomycin is a novel lipopeptide antibiotic used in the treatment of certain infections caused by Gram-positive organisms. It is a naturally-occurring compound found in the soil saprotroph Streptomyces roseosporus. Its distinct mechanism of action means that it may be useful in treating infections due to Staphylococcus aureus [1].;The efficacies of low- versus high-dose vancomycin (10 versus 110 mg/kg), daptomycin (1 versus 10 mg/kg), and tigecycline (1 versus 10 mg/kg) intravenous prophylaxis were compared using in vivo bioluminescence imaging, ex vivo bacterial counts, and biofilm formation. High-dose vancomycin, daptomycin, and tigecycline resulted in similar reductions in bacterial burden and biofilm formation. In contrast, low-dose daptomycinand tigecycline were more effective than low-dose vancomycin against the implan MedChem Express HY-B0108

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

Density: 1.5±0.1 g/cm3
Boiling Point: 2078.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 366.9±3.0 kJ/mol
Flash Point: 1210.7±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 399.3±0.4 cm3
#H bond acceptors: 43
#H bond donors: 25
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 3
ACD/LogP: -4.07
ACD/LogD (pH 5.5): -9.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 702 Å2
Polarizability: 158.3±0.5 10-24cm3
Surface Tension: 85.3±5.0 dyne/cm
Molar Volume: 1110.8±5.0 cm3

Click to predict properties on the Chemicalize site


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