ChemSpider 2D Image | (2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-4-(furo[2,3-b]pyridin-5-ylmethyl)-N-(2-methyl-2-propanyl)-2-piperazinecarboxamide (non-preferred name) | C38H47N5O5

(2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-4-(furo[2,3-b]pyridin-5-ylmethyl)-N-(2-methyl-2-propanyl)-2-piperazinecarboxamide (non-preferred name)

  • Molecular FormulaC38H47N5O5
  • Average mass653.810 Da
  • Monoisotopic mass653.357727 Da
  • ChemSpider ID4587717

  • defined stereocentres - 5 of 5 defined stereocentres

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

(2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-4-(furo[2,3-b]pyridin-5-ylmethyl)-N-(2-methyl-2-propanyl)-2-piperazincarboxamid (non-preferred na me) [German] [ACD/IUPAC Name]
(2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-4-(furo[2,3-b]pyridin-5-ylmethyl)-N-(2-methyl-2-propanyl)-2-piperazinecarboxamide (non-preferred name) [ACD/IUPAC Name]
(2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]amino}-5-oxopentyl]-4-(furo[2,3-b]pyridin-5-ylméthyl)-N-(2-méthyl-2-propanyl)-2-pipérazinecarboxamide (non-preferred name) [French] [ACD/IUPAC Name]
(2S)-1-[(2S,4R)-4-BENZYL-2-HYDROXY-4-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]CARBAMOYL}BUTYL]-N-TERT-BUTYL-4-{FURO[2,3-B]PYRIDIN-5-YLMETHYL}PIPERAZINE-2-CARBOXAMIDE
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(furo[2,3-b]pyridin-5-ylmethyl)piperazine-2-carboxamide
(2S)-N-tert-butyl-4-(furo[3,2-e]pyridin-5-ylmethyl)-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(phenylmethyl)pentyl]piperazine-2-carboxamide
[160729-91-9] [RN]
160729-91-9 [RN]
160729-91-9??
1-Piperazinepentanamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-2-(((1,1-dimethylethyl)amino)carbonyl)-4-(furo(2,3-b)pyridin-5-ylmethyl)-γ-hydroxy-α-(phenylmethyl)-, (αR,γS,2S)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS096249 [DBID]
AIDS-096249 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 903.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 137.5±3.0 kJ/mol
    Flash Point: 500.0±34.3 °C
    Index of Refraction: 1.657
    Molar Refractivity: 186.2±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 3.45
    ACD/LogD (pH 5.5): 3.36
    ACD/BCF (pH 5.5): 186.40
    ACD/KOC (pH 5.5): 1260.42
    ACD/LogD (pH 7.4): 3.59
    ACD/BCF (pH 7.4): 315.44
    ACD/KOC (pH 7.4): 2132.97
    Polar Surface Area: 131 Å2
    Polarizability: 73.8±0.5 10-24cm3
    Surface Tension: 66.9±5.0 dyne/cm
    Molar Volume: 506.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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