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    Chemistry

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    Also known as: Hcg-beta (123-145), Beta-subunit hcg (123-145), 66053-67-6, Beta subunit hcg (123-145), L-glutamine, l-alanyl-l-prolyl-l-prolyl-l-prolyl-l-seryl-l-leucyl-l-prolyl-l-seryl-l-prolyl-l-seryl-l-arginyl-l-leucyl-l-prolylglycyl-l-prolyl-l-seryl-l-alpha-aspartyl-l-threonyl-l-prolyl-l-isoleucyl-l-leucyl-l-prolyl-
    Molecular Formula
    C105H169N27O32
    Molecular Weight
    2321.6  g/mol
    InChI Key
    UQHLFCUMFKQWEV-QBBOMDFKSA-N
    Human Chorionic Gonadotropin
    1 2D Structure

    Human Chorionic Gonadotropin

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
    2.1.2 InChI
    InChI=1S/C105H169N27O32/c1-11-56(8)81(95(154)117-64(46-55(6)7)99(158)126-37-15-25-71(126)90(149)113-60(104(163)164)32-33-78(107)138)122-94(153)75-29-19-41-130(75)103(162)82(58(10)137)123-84(143)61(47-80(140)141)114-86(145)66(50-134)118-89(148)70-24-13-35-124(70)79(139)48-111-88(147)69-23-14-36-125(69)97(156)62(44-53(2)3)115-83(142)59(22-12-34-110-105(108)109)112-85(144)65(49-133)119-91(150)72-26-17-39-128(72)100(159)68(52-136)121-93(152)73-27-16-38-127(73)98(157)63(45-54(4)5)116-87(146)67(51-135)120-92(151)74-28-18-40-129(74)101(160)77-31-21-43-132(77)102(161)76-30-20-42-131(76)96(155)57(9)106/h53-77,81-82,133-137H,11-52,106H2,1-10H3,(H2,107,138)(H,111,147)(H,112,144)(H,113,149)(H,114,145)(H,115,142)(H,116,146)(H,117,154)(H,118,148)(H,119,150)(H,120,151)(H,121,152)(H,122,153)(H,123,143)(H,140,141)(H,163,164)(H4,108,109,110)/t56-,57-,58+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,81-,82-/m0/s1
    2.1.3 InChI Key
    UQHLFCUMFKQWEV-QBBOMDFKSA-N
    2.1.4 Canonical SMILES
    CCC(C)C(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C2CCCN2C(=O)C(C(C)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C3CCCN3C(=O)CNC(=O)C4CCCN4C(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C5CCCN5C(=O)C(CO)NC(=O)C6CCCN6C(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C7CCCN7C(=O)C8CCCN8C(=O)C9CCCN9C(=O)C(C)N
    2.1.5 Isomeric SMILES
    CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CO)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]7CCCN7C(=O)[C@@H]8CCCN8C(=O)[C@@H]9CCCN9C(=O)[C@H](C)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Beta Subunit Hcg (123-145)

    2. Hcg-beta (123-145)

    2.2.2 Depositor-Supplied Synonyms

    1. Hcg-beta (123-145)

    2. Beta-subunit Hcg (123-145)

    3. 66053-67-6

    4. Beta Subunit Hcg (123-145)

    5. L-glutamine, L-alanyl-l-prolyl-l-prolyl-l-prolyl-l-seryl-l-leucyl-l-prolyl-l-seryl-l-prolyl-l-seryl-l-arginyl-l-leucyl-l-prolylglycyl-l-prolyl-l-seryl-l-alpha-aspartyl-l-threonyl-l-prolyl-l-isoleucyl-l-leucyl-l-prolyl-

    2.3 Create Date
    2007-07-03
    3 Chemical and Physical Properties
    Molecular Weight 2321.6 g/mol
    Molecular Formula C105H169N27O32
    XLogP3-8.6
    Hydrogen Bond Donor Count25
    Hydrogen Bond Acceptor Count34
    Rotatable Bond Count59
    Exact Mass2321.2460512 g/mol
    Monoisotopic Mass2320.2426963 g/mol
    Topological Polar Surface Area868 Ų
    Heavy Atom Count164
    Formal Charge0
    Complexity5430
    Isotope Atom Count0
    Defined Atom Stereocenter Count24
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API Reference Price

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    [{"dataSource":"API Import","activeIngredients":"HUMAN CHORIONIC GONADOTROPIN","year":"2021","qtr":"Q1","strtotime":1612809000,"product":"HPHCG (HUMAN CHORIONIC GONADOTROPIN)P01373 T24 4*2MG (ITEM IMPORTING FOR TESTING PURPOSE) (QTY: 4 PCS, U\/P: 1.00)","address":"DEVARHOSAHALLY, SOMAPURA HOBLI NELAMANGALA TALUK","city":"BANAGALORE RURAL DIST., KARNATAKA","supplier":"BBT BIOTECH GMBH","supplierCountry":"GERMANY","foreign_port":"COLOGNE","customer":"BIONEEDS INDIA","customerCountry":"INDIA","quantity":"0.02","actualQuantity":"0.016","unit":"KGS","unitRateFc":"250","totalValueFC":"4.9","currency":"EUR","unitRateINR":"22325","date":"09-Feb-2021","totalValueINR":"357.2","totalValueInUsd":"4.9","indian_port":"BANGALORE AIR","hs_no":"29371900","bill_no":"2696899","productDescription":"API","marketType":"REGULATED MARKET","country":"GERMANY","selfForZScoreResived":"Pharma Grade","supplierPort":"COLOGNE","supplierAddress":"","customerAddress":"DEVARHOSAHALLY, SOMAPURA HOBLI NELAMANGALA TALUK"},{"dataSource":"API Import","activeIngredients":"HUMAN CHORIONIC GONADOTROPIN","year":"2021","qtr":"Q1","strtotime":1613413800,"product":"HCG (HUMAN CHORIONIC GONADOTROPIN)C170530 T36 1*2MG(ITEM IMPORTING FOR TESTING PURPOSE) (QTY: 1 PCS, U\/P:1.00)","address":"DEVARHOSAHALLY, SOMAPURA HOBLI NELAMANGALA TALUK","city":"BANAGALORE RURAL DIST., KARNATAKA","supplier":"BBT BIOTECH GMBH","supplierCountry":"GERMANY","foreign_port":"COLOGNE","customer":"BIONEEDS INDIA","customerCountry":"INDIA","quantity":"0.00","actualQuantity":"0.004","unit":"KGS","unitRateFc":"250","totalValueFC":"1.2","currency":"EUR","unitRateINR":"22325","date":"16-Feb-2021","totalValueINR":"89.3","totalValueInUsd":"1.2","indian_port":"BANGALORE AIR","hs_no":"29371900","bill_no":"2785528","productDescription":"API","marketType":"REGULATED MARKET","country":"GERMANY","selfForZScoreResived":"Pharma Grade","supplierPort":"COLOGNE","supplierAddress":"","customerAddress":"DEVARHOSAHALLY, SOMAPURA HOBLI NELAMANGALA TALUK"}]
    09-Feb-2021
    16-Feb-2021
    KGS
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