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  • N-Heptyl-N'-{3-[3-(heptyl-methyl-carbamoyl)-propionylamino]-2,2-di
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    N-Heptyl-N'-{3-[3-(heptyl-methyl-carbamoyl)-propionylamino]-2,2-dimethyl-propyl}-N-methyl-succinamide
    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight524.77934 [g/mol]
    Molecular FormulaC29H56N4O4
    XLogP5
    H-Bond Donor2
    H-Bond Acceptor4
    Rotatable Bond Count22
    Tautomer Count3
    Exact Mass524.430156
    MonoIsotopic Mass524.430156
    Topological Polar Surface Area98.8
    Heavy Atom Count37
    Formal Charge0
    Complexity612
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: N'-heptyl-N-[3-[[4-(heptyl-methylamino)-4-oxobutanoyl]amino]-2,
    2-dimethylpropyl]-N'-methylbutanediamide
    Canonical SMILES: CCCCCCCN(C)C(=O)CCC(=O)NCC(C)(C)CNC(=O)CCC(=O)N(C)CCCCCCC
    InChI: InChI=1/C29H56N4O4/c1-7-9-11-13-15-21-32(5)27(36)19-17-25(34)30-23-29(3,
    4)24-31-26(35)18-20-28(37)33(6)22-16-14-12-10-8-2/h7-24H2,1-6H3,(H,30,
    34)(H,31,35)/f/h30-31H

    ChemDrug版权识别码:37311037315734782235
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