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Search term: DOAKLVKFURWEDJ-RWDRXURGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Daptomycin | C72H101N17O26

Daptomycin

  • Molecular FormulaC72H101N17O26
  • Average mass1620.671 Da
  • Monoisotopic mass1619.710327 Da
  • ChemSpider ID10482098

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3S)-3-{[(2S)-4-amino-2-{[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino}-4-oxobutanoyl]amino}-4-{[(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-methylethyl]-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]amino}-4-oxobutanoic acid
(3S)-3-{[(2S)-4-Amino-2-{[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino}-4-oxobutanoyl]amino}-4-{[(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-methylethyl]-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]amino}-4-oxobutansäure [German]
103060-53-3 [RN]
acide (3S)-3-{[(2S)-4-amino-2-{[(2S)-2-(décanoylamino)-3-(1H-indol-3-yl)propanoyl]amino}-4-oxobutanoyl]amino}-4-{[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophényl)-2-oxoéthyl]-24-(3-aminopropyl)-15,21-bis(carboxyméthyl)-6-[(1R)-2-carboxy-1-méthyléthyl]-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]amino}-4-oxobutanoïque [French]
Cidecin
Cubicin [Trade name]
Daptomycin [Wiki]
Deptomycin
LY146032
L-α-Asparagine, N-(1-oxodecyl)-L-tryptophyl-L-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]
More...

    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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