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    Chemistry

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    Also known as: 115825-92-8, Relaxin (79-92), Dtxsid40151202, Refchem:178815, Dtxcid2073693, L-proline, l-alpha-glutamyl-l-arginyl-l-glutaminyl-l-prolyl-l-leucyl-l-prolyl-l-alpha-glutamyl-l-leucyl-l-glutaminyl-l-glutaminyl-l-tyrosyl-l-valyl-
    Molecular Formula
    C75H118N20O24
    Molecular Weight
    1683.9  g/mol
    InChI Key
    FMBRUIMCNPUJGL-CQMASTGVSA-N
    Relaxin C-peptide
    synthetic 14-amino acid peptide found in human decidua & placenta; represents partial sequence of human relaxin connecting peptide
    1 2D Structure

    Relaxin C-peptide

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C75H118N20O24/c1-37(2)33-48(66(110)85-44(20-24-55(77)98)63(107)84-45(21-25-56(78)99)64(108)89-49(35-40-15-17-41(97)18-16-40)67(111)92-60(39(5)6)73(117)95-32-10-14-54(95)74(118)119)88-65(109)46(23-28-59(103)104)86-69(113)52-12-9-31-94(52)72(116)50(34-38(3)4)90-68(112)51(36-96)91-70(114)53-13-8-30-93(53)71(115)47(22-26-57(79)100)87-62(106)43(11-7-29-82-75(80)81)83-61(105)42(76)19-27-58(101)102/h15-18,37-39,42-54,60,96-97H,7-14,19-36,76H2,1-6H3,(H2,77,98)(H2,78,99)(H2,79,100)(H,83,105)(H,84,107)(H,85,110)(H,86,113)(H,87,106)(H,88,109)(H,89,108)(H,90,112)(H,91,114)(H,92,111)(H,101,102)(H,103,104)(H,118,119)(H4,80,81,82)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,60-/m0/s1
    2.1.3 InChI Key
    FMBRUIMCNPUJGL-CQMASTGVSA-N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Relaxin (79-92)

    2.2.2 Depositor-Supplied Synonyms

    1. 115825-92-8

    2. Relaxin (79-92)

    3. Dtxsid40151202

    4. Refchem:178815

    5. Dtxcid2073693

    6. L-proline, L-alpha-glutamyl-l-arginyl-l-glutaminyl-l-prolyl-l-leucyl-l-prolyl-l-alpha-glutamyl-l-leucyl-l-glutaminyl-l-glutaminyl-l-tyrosyl-l-valyl-

    7. Orb1983692

    2.3 Create Date
    2008-12-10
    3 Chemical and Physical Properties
    Molecular Weight 1683.9 g/mol
    Molecular Formula C75H118N20O24
    XLogP3-7.3
    Hydrogen Bond Donor Count21
    Hydrogen Bond Acceptor Count26
    Rotatable Bond Count51
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area724
    Heavy Atom Count119
    Formal Charge0
    Complexity3630
    Isotope Atom Count0
    Defined Atom Stereocenter Count14
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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