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    Technical details about 64Cu-SAR-BBN, learn more about the structure, uses, toxicity, action, side effects and more

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    64Cu-SAR-BBN

    DEVELOPMENTS

    PharmaCompass

    Boai NKY Pharmaceuticals Ltd. is one of the largest global PVP suppliers.

    Renejix: CDMO with expertise in small molecule oral dosage, delivery tech, and multi-modality manufacturing.

    2D Structure
    1. Also known as: Sar-bbn cu-64, Zg72h4j6mk, 1801421-72-6
    Molecular Formula
    C86H138CuN22O18
    Molecular Weight
    1832.1  g/mol
    InChI Key
    AHIJGVREOOOXRL-IURWPJDGSA-N
    FDA UNII
    ZG72H4J6MK
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2R)-2-[3-[2-[2-[2-[2-[[5-[(8-methyl-10,13,16,19-tetraza-3,6-diazanidabicyclo[6.6.6]icosan-1-yl)amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-phenylpropanoyl]amino]pentanediamide;copper-64(2+)
    2.1.2 InChI
    InChI=1S/C86H138N22O18.Cu/c1-55(2)39-65(70(109)44-75(114)101-66(78(88)116)40-56(3)4)105-83(121)69(43-61-46-95-54-99-61)103-76(115)47-98-84(122)77(57(5)6)107-79(117)58(7)100-81(119)68(42-60-45-97-63-18-13-12-17-62(60)63)106-80(118)64(21-22-71(87)110)104-82(120)67(41-59-15-10-9-11-16-59)102-73(112)23-31-123-33-35-125-37-38-126-36-34-124-32-30-96-72(111)19-14-20-74(113)108-86-51-92-27-24-89-48-85(8,49-90-25-28-93-52-86)50-91-26-29-94-53-86;/h9-13,15-18,45-46,54-58,64-70,77,89-90,92-93,97,109H,14,19-44,47-53H2,1-8H3,(H2,87,110)(H2,88,116)(H,95,99)(H,96,111)(H,98,122)(H,100,119)(H,101,114)(H,102,112)(H,103,115)(H,104,120)(H,105,121)(H,106,118)(H,107,117)(H,108,113);/q-2;+2/t58-,64-,65-,66-,67+,68-,69-,70-,77-,85?,86?;/m0./s1/i;1+0
    2.1.3 InChI Key
    AHIJGVREOOOXRL-IURWPJDGSA-N
    2.1.4 Canonical SMILES
    CC(C)CC(C(CC(=O)NC(CC(C)C)C(=O)N)O)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)N)NC(=O)C(CC4=CC=CC=C4)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC(=O)NC56CNCCNCC(CNCCNC5)(C[N-]CC[N-]C6)C.[Cu+2]
    2.1.5 Isomeric SMILES
    C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC(=O)NC56CNCCNCC(CNCCNC5)(C[N-]CC[N-]C6)C.[64Cu+2]
    2.2 Other Identifiers
    2.2.1 UNII
    ZG72H4J6MK
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Sar-bbn Cu-64

    2. Zg72h4j6mk

    3. 1801421-72-6

    2.4 Create Date
    2023-07-18
    3 Chemical and Physical Properties
    Molecular Weight 1832.1 g/mol
    Molecular Formula C86H138CuN22O18
    Hydrogen Bond Donor Count20
    Hydrogen Bond Acceptor Count25
    Rotatable Bond Count54
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area558
    Heavy Atom Count127
    Formal Charge0
    Complexity3330
    Isotope Atom Count1
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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