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    RMC-5127

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    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Rmc-5127, Ex-a10731, At48469, (2s,3s)-n-((64s,3s,4s)-12-(5-(4-cyclopropylpiperazin-1-yl)-2-((s)-1-methoxyethyl)pyridin-3-yl)-10,10-dimethyl-5,7-dioxo-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-(2-((tetrahydro-2h-pyran-4-yl)oxy)ethyl)-11h-8-oxa-62,63-diaza-2(4,2)-thiazola-1(5,3)-indola-6(2,4)-bicyclo[3.1.1]heptanacycloundecaphane-4-yl)-3-methyloxetane-2-carboxamide, 3056146-38-1
    Molecular Formula
    C57H75N9O9S
    Molecular Weight
    1062.3  g/mol
    InChI Key
    JFORVBRBJPBOTP-QUYDRMBBSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3S)-N-[(6S,7S,13S)-20-[5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]-3-pyridinyl]-17,17-dimethyl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-21-[2-(oxan-4-yloxy)ethyl]-8,14-dioxo-15-oxa-4-thia-9,21,27,29-tetrazahexacyclo[17.5.2.12,5.19,13.110,12.022,26]nonacosa-1(25),2,5(29),19,22(26),23-hexaen-7-yl]-3-methyloxetane-2-carboxamide
    2.1.2 InChI
    InChI=1S/C57H75N9O9S/c1-33-26-74-51(33)52(67)60-48-50(64-28-57(29-64)31-72-32-57)53-59-44(27-76-53)35-6-9-45-41(22-35)43(24-56(3,4)30-75-55(69)47-36-20-38(21-36)66(61-47)54(48)68)49(65(45)16-19-73-40-10-17-71-18-11-40)42-23-39(25-58-46(42)34(2)70-5)63-14-12-62(13-15-63)37-7-8-37/h6,9,22-23,25,27,33-34,36-38,40,47-48,50-51,61H,7-8,10-21,24,26,28-32H2,1-5H3,(H,60,67)/t33-,34-,36?,38?,47-,48-,50-,51-/m0/s1
    2.1.3 InChI Key
    JFORVBRBJPBOTP-QUYDRMBBSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Rmc-5127

    2. Ex-a10731

    3. At48469

    4. (2s,3s)-n-((64s,3s,4s)-12-(5-(4-cyclopropylpiperazin-1-yl)-2-((s)-1-methoxyethyl)pyridin-3-yl)-10,10-dimethyl-5,7-dioxo-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-11-(2-((tetrahydro-2h-pyran-4-yl)oxy)ethyl)-11h-8-oxa-62,63-diaza-2(4,2)-thiazola-1(5,3)-indola-6(2,4)-bicyclo[3.1.1]heptanacycloundecaphane-4-yl)-3-methyloxetane-2-carboxamide

    5. 3056146-38-1

    2.3 Create Date
    2025-06-28
    3 Chemical and Physical Properties
    Molecular Weight 1062.3 g/mol
    Molecular Formula C57H75N9O9S
    XLogP34.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count12
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area203
    Heavy Atom Count76
    Formal Charge0
    Complexity2080
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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