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

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