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    Chemistry

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    Also known as: Dtxsid70583193, Atrial natriuretic peptide human, >=97% (hplc), Serylleucylarginylarginylserylserylcysteinylphenylalanylglycylglycylarginylmethionyl-alpha-aspartylarginylisoleucylglycylalanylglutaminylserylglycylleucylglycylcysteinylasparaginylserylphenylalanylarginyltyrosine
    Molecular Formula
    C127H205N45O39S3
    Molecular Weight
    3082.5  g/mol
    InChI Key
    KGZJRXKGJRJKCB-UHFFFAOYSA-N
    Hanf
    1 2D Structure

    Hanf

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[[1-[[1-[[2-[[1-[[5-amino-1-[[1-[[2-[[1-[[2-[[1-[[4-amino-1-[[1-[[1-[[5-carbamimidamido-1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
    2.1.2 InChI
    InChI=1S/C127H205N45O39S3/c1-9-64(6)99(121(209)150-52-94(182)151-65(7)100(188)155-76(34-35-91(129)179)109(197)167-85(56-174)104(192)149-53-96(184)153-78(43-62(2)3)102(190)148-54-97(185)154-89(60-212)119(207)164-82(48-92(130)180)114(202)169-86(57-175)116(204)163-81(46-67-23-14-11-15-24-67)113(201)158-73(27-18-39-143-125(135)136)107(195)166-84(122(210)211)47-68-30-32-69(178)33-31-68)172-111(199)75(29-20-41-145-127(139)140)159-115(203)83(49-98(186)187)165-110(198)77(36-42-214-8)160-105(193)71(25-16-37-141-123(131)132)152-95(183)51-146-93(181)50-147-103(191)80(45-66-21-12-10-13-22-66)162-120(208)90(61-213)171-118(206)88(59-177)170-117(205)87(58-176)168-108(196)74(28-19-40-144-126(137)138)156-106(194)72(26-17-38-142-124(133)134)157-112(200)79(44-63(4)5)161-101(189)70(128)55-173/h10-15,21-24,30-33,62-65,70-90,99,173-178,212-213H,9,16-20,25-29,34-61,128H2,1-8H3,(H2,129,179)(H2,130,180)(H,146,181)(H,147,191)(H,148,190)(H,149,192)(H,150,209)(H,151,182)(H,152,183)(H,153,184)(H,154,185)(H,155,188)(H,156,194)(H,157,200)(H,158,201)(H,159,203)(H,160,193)(H,161,189)(H,162,208)(H,163,204)(H,164,207)(H,165,198)(H,166,195)(H,167,197)(H,168,196)(H,169,202)(H,170,205)(H,171,206)(H,172,199)(H,186,187)(H,210,211)(H4,131,132,141)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)(H4,139,140,145)
    2.1.3 InChI Key
    KGZJRXKGJRJKCB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(C)C(C(=O)NCC(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)NCC(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CS)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)C(CC3=CC=CC=C3)NC(=O)C(CS)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CO)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Dtxsid70583193

    2. Atrial Natriuretic Peptide Human, >=97% (hplc)

    3. Serylleucylarginylarginylserylserylcysteinylphenylalanylglycylglycylarginylmethionyl-alpha-aspartylarginylisoleucylglycylalanylglutaminylserylglycylleucylglycylcysteinylasparaginylserylphenylalanylarginyltyrosine

    2.3 Create Date
    2007-07-04
    3 Chemical and Physical Properties
    Molecular Weight 3082.5 g/mol
    Molecular Formula C127H205N45O39S3
    XLogP3-15.9
    Hydrogen Bond Donor Count55
    Hydrogen Bond Acceptor Count48
    Rotatable Bond Count109
    Exact Mass3081.4637002 g/mol
    Monoisotopic Mass3080.4603454 g/mol
    Topological Polar Surface Area1430 Ų
    Heavy Atom Count214
    Formal Charge0
    Complexity6900
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count24
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API Reference Price

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    28-Sep-2024
    30-Oct-2024
    KGS
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