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    Chemistry

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    Also known as: L-ala-gamma-d-glu-meso-a2pm-d-ala-d-ala, L-alanyl-gamma-d-glutamyl-meso-2,6-diaminoheptanedioyl-d-alanyl-d-alanine, L-alanyl-gamma-d-glutamyl-meso-2,6-diaminopimeloyl-d-alanyl-d-alanine
    Molecular Formula
    C21H35N6O10-
    Molecular Weight
    531.5  g/mol
    InChI Key
    RALYHMDCAUUMJL-BPKMXRTBSA-M
    Pentapeptide
    1 2D Structure

    Pentapeptide

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,6S)-2-azaniumyl-6-[[(4R)-4-[[(2S)-2-azaniumylpropanoyl]amino]-4-carboxylatobutanoyl]amino]-7-[[(2R)-1-[[(1R)-1-carboxylatoethyl]amino]-1-oxopropan-2-yl]amino]-7-oxoheptanoate
    2.1.2 InChI
    InChI=1S/C21H36N6O10/c1-9(22)16(29)27-14(21(36)37)7-8-15(28)26-13(6-4-5-12(23)20(34)35)18(31)24-10(2)17(30)25-11(3)19(32)33/h9-14H,4-8,22-23H2,1-3H3,(H,24,31)(H,25,30)(H,26,28)(H,27,29)(H,32,33)(H,34,35)(H,36,37)/p-1/t9-,10+,11+,12+,13-,14+/m0/s1
    2.1.3 InChI Key
    RALYHMDCAUUMJL-BPKMXRTBSA-M
    2.1.4 Canonical SMILES
    CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)[O-])[NH3+])C(=O)NC(C)C(=O)NC(C)C(=O)[O-])C(=O)[O-])[NH3+]
    2.1.5 Isomeric SMILES
    C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])[NH3+]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. L-ala-gamma-d-glu-meso-a2pm-d-ala-d-ala

    2. L-alanyl-gamma-d-glutamyl-meso-2,6-diaminoheptanedioyl-d-alanyl-d-alanine

    3. L-alanyl-gamma-d-glutamyl-meso-2,6-diaminopimeloyl-d-alanyl-d-alanine

    2.3 Create Date
    2009-03-31
    3 Chemical and Physical Properties
    Molecular Weight 531.5 g/mol
    Molecular Formula C21H35N6O10-
    XLogP3-5.5
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count14
    Exact Mass531.24146633 g/mol
    Monoisotopic Mass531.24146633 g/mol
    Topological Polar Surface Area292 Ų
    Heavy Atom Count37
    Formal Charge-1
    Complexity850
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    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":"","year":"2024","qtr":"Q2","strtotime":1718994600,"product":"PALMITOYL PENTAPEPTIDE -4","address":"N\/A","city":"","supplier":"PACIFIC SPOT LIMITED","supplierCountry":"CHINA","foreign_port":"HONG KONG","customer":"FLYCHEM INDIA PRIVATE LIMITED","customerCountry":"INDIA","quantity":"0.05","actualQuantity":"50","unit":"GMS","unitRateFc":"40.8","totalValueFC":"2057.5","currency":"USD","unitRateINR":"3435.2","date":"22-Jun-2024","totalValueINR":"171761.25","totalValueInUsd":"2057.5","indian_port":"Hyderabad Air","hs_no":"29332990","bill_no":"4138055","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"HONG KONG","supplierAddress":"UNITS A-C,25\/F, SEABRIGHT PLAZANO,9-23 SHELL STREET,NORTH POINTHONGKONG HK","customerAddress":"N\/A"}]
    22-Jun-2024
    22-Jun-2024
    KGS
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