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    Luveltamab Tazevibulin

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    DIGITAL CONTENT

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    2D Structure
    Also known as: Luveltamab tazevibulin l-phenylalanine drug linker(2)
    Molecular Formula
    C74H94N14O13
    Molecular Weight
    1387.6  g/mol
    InChI Key
    QQXFSOCXULHNBJ-FWTPVKPMSA-N
    FDA UNII
    HK3BA62QG3
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E,4S)-4-[[(2S)-2-[[(2R)-3-[3-[[4-[[(2S)-2-[[(2S)-2-[[4-[5-[4-[(2S)-2-amino-2-carboxyethyl]phenyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxycarbonylamino]phenyl]-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
    2.1.2 InChI
    InChI=1S/C74H94N14O13/c1-42(2)57(37-44(5)69(95)96)86(12)68(94)64(73(6,7)8)83-67(93)63(77-11)74(9,10)48-20-17-21-50(39-48)80-72(100)101-41-46-26-30-49(31-27-46)79-65(91)55(24-18-36-78-71(76)99)81-66(92)60(43(3)4)82-58(89)34-35-59(90)87-40-47-19-13-14-22-52(47)61-62(53-23-15-16-25-56(53)87)88(85-84-61)51-32-28-45(29-33-51)38-54(75)70(97)98/h13-17,19-23,25-33,37,39,42-43,54-55,57,60,63-64,77H,18,24,34-36,38,40-41,75H2,1-12H3,(H,79,91)(H,80,100)(H,81,92)(H,82,89)(H,83,93)(H,95,96)(H,97,98)(H3,76,78,99)/b44-37+/t54-,55-,57+,60-,63-,64+/m0/s1
    2.1.3 InChI Key
    QQXFSOCXULHNBJ-FWTPVKPMSA-N
    2.1.4 Canonical SMILES
    CC(C)C(C=C(C)C(=O)O)N(C)C(=O)C(C(C)(C)C)NC(=O)C(C(C)(C)C1=CC(=CC=C1)NC(=O)OCC2=CC=C(C=C2)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)CCC(=O)N3CC4=CC=CC=C4C5=C(C6=CC=CC=C63)N(N=N5)C7=CC=C(C=C7)CC(C(=O)O)N)NC
    2.1.5 Isomeric SMILES
    CC(C)[C@@H](/C=C(\C)/C(=O)O)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](C(C)(C)C1=CC(=CC=C1)NC(=O)OCC2=CC=C(C=C2)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCC(=O)N3CC4=CC=CC=C4C5=C(C6=CC=CC=C63)N(N=N5)C7=CC=C(C=C7)C[C@@H](C(=O)O)N)NC
    2.2 Other Identifiers
    2.2.1 UNII
    HK3BA62QG3
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Luveltamab Tazevibulin L-phenylalanine Drug Linker(2)

    2.3.2 Other Synonyms

    1. Luveltamab Tazevibulin

    2.4 Create Date
    2023-01-03
    3 Chemical and Physical Properties
    Molecular Weight 1387.6 g/mol
    Molecular Formula C74H94N14O13
    XLogP32.3
    Hydrogen Bond Donor Count11
    Hydrogen Bond Acceptor Count17
    Rotatable Bond Count32
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area394
    Heavy Atom Count101
    Formal Charge0
    Complexity2850
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1