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    7-Phenyl Acetamido-3-Hydroxy-3-Cephem-4-Carboxylic Acid Diphenylmethyl Ester , 3-Oh manufacturers and suppliers on PharmaCompass

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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: Schembl6881868, Akos015964611, Db-052620, Ft-0640265
    Molecular Formula
    C28H24N2O5S
    Molecular Weight
    500.6  g/mol
    InChI Key
    HJINVAQLVZRFTL-UHFFFAOYSA-N
    7-Phenyl Acetamido-3-Hydroxy-3-Cephem-4-Carboxylic Acid Diphenylmethyl Ester , 3-Oh
    1 2D Structure

    7-Phenyl Acetamido-3-Hydroxy-3-Cephem-4-Carboxylic Acid Diphenylmethyl Ester , 3-Oh

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzhydryl 3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    2.1.2 InChI
    InChI=1S/C28H24N2O5S/c31-21-17-36-27-23(29-22(32)16-18-10-4-1-5-11-18)26(33)30(27)24(21)28(34)35-25(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,23,25,27,31H,16-17H2,(H,29,32)
    2.1.3 InChI Key
    HJINVAQLVZRFTL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl6881868

    2. Akos015964611

    3. Db-052620

    4. Ft-0640265

    2.3 Create Date
    2011-12-26
    3 Chemical and Physical Properties
    Molecular Weight 500.6 g/mol
    Molecular Formula C28H24N2O5S
    XLogP34.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass500.14059304 g/mol
    Monoisotopic Mass500.14059304 g/mol
    Topological Polar Surface Area121 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity840
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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