ChemSpider 2D Image | N-Cyclopentyl-N~2~-{(2S)-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanoyl}-L-methioninamide | C28H37N5O5S

N-Cyclopentyl-N2-{(2S)-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanoyl}-L-methioninamide

  • Molecular FormulaC28H37N5O5S
  • Average mass555.689 Da
  • Monoisotopic mass555.251526 Da
  • ChemSpider ID17470278

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Imidazo[1',5':1,2]pyrido[3,4-b]indole-2(3H)-acetamide, N-[(1S)-1-[(cyclopentylamino)carbonyl]-3-(methylthio)propyl]-5,6,11,11b-tetrahydro-8-methoxy-α,11b-dimethyl-1,3-dioxo-, (αS,11bS)- [ACD/Index Name]
N-Cyclopentyl-N2-{(2S)-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanoyl}-L-methioninamid [German] [ACD/IUPAC Name]
N-Cyclopentyl-N2-{(2S)-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanoyl}-L-methioninamide [ACD/IUPAC Name]
N-Cyclopentyl-N2-{(2S)-2-[(11bS)-8-méthoxy-11b-méthyl-1,3-dioxo-5,6,11,11b-tétrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanoyl}-L-méthioninamide [French] [ACD/IUPAC Name]
(S)-N-cyclopentyl-2-((S)-2-((S)-8-methoxy-11b-methyl-1,3-dioxo-5,6-dihydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H,11H,11bH)-yl)propanamido)-4-(methylthio)butanamide
956984-07-9 [RN]
MCULE-8310733714
MolPort-000-802-179
STOCK1N-63004

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.655
    Molar Refractivity: 149.9±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 2.44
    ACD/LogD (pH 5.5): 2.25
    ACD/BCF (pH 5.5): 30.35
    ACD/KOC (pH 5.5): 400.44
    ACD/LogD (pH 7.4): 2.25
    ACD/BCF (pH 7.4): 30.35
    ACD/KOC (pH 7.4): 400.44
    Polar Surface Area: 149 Å2
    Polarizability: 59.4±0.5 10-24cm3
    Surface Tension: 67.6±5.0 dyne/cm
    Molar Volume: 408.7±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement