Please Wait
Applying Filters...
menu
    • menu
    Trusted Global CDMO Partner Delivering End-to-End Pharma Manufacturing & Development Solutions.

    Virtual Booth

    Contact Supplier

    Evonik Health Care is the innovation hub for leading life science companies

    Virtual Booth

    Contact Supplier

    Aarti Pharmalabs is a partner of choice for pharmaceutical companies for APIs & Intermediates. Largest Indian producer of Caffeine.

    Virtual Booth

    Contact Supplier

    Axplora is your partner of choice for complex APIs.

    Virtual Booth

    Contact Supplier

    Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

    Virtual Booth

    Contact Supplier

    pharmacompass-2-2026-02-09

    Virtual Booth

    An Enquiry

    Menu

    CAS 361442-01-5

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 361442-01-5, Tert-butyl n-[(1s)-2-[(1s,3s,5s)-3-carbamoyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]carbamate, Schembl2434106, Dtxsid00717848, (1s,3s,5s)-2-[(2s)-2-(1,1-dimethylethoxycarbonyl)amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-1-oxoethyl]-2-azabicyclo[3.1.0]hexane-3-carbonylamine, 3-(aminocarbonyl)-(alphas)-alpha-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-beta-oxo-(1s,3s,5 s)-2-azabicyclo[3.1.0]hexane-2-ethanecarbamic acid, 1,1-dimethylethyl ester
    Molecular Formula
    C23H35N3O5
    Molecular Weight
    433.5  g/mol
    InChI Key
    QIAUZMKUAYNKKY-GVRCGUHSSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl N-[(1S)-2-[(1S,3S,5S)-3-carbamoyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]carbamate
    2.1.2 InChI
    InChI=1S/C23H35N3O5/c1-21(2,3)31-20(29)25-17(19(28)26-15-5-14(15)6-16(26)18(24)27)22-7-12-4-13(8-22)10-23(30,9-12)11-22/h12-17,30H,4-11H2,1-3H3,(H2,24,27)(H,25,29)/t12?,13?,14-,15-,16-,17+,22?,23?/m0/s1
    2.1.3 InChI Key
    QIAUZMKUAYNKKY-GVRCGUHSSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)NC(C(=O)N1C2CC2CC1C(=O)N)C34CC5CC(C3)CC(C5)(C4)O
    2.1.5 Isomeric SMILES
    CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)N)C34CC5CC(C3)CC(C5)(C4)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 361442-01-5

    2. Tert-butyl N-[(1s)-2-[(1s,3s,5s)-3-carbamoyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]carbamate

    3. Schembl2434106

    4. Dtxsid00717848

    5. (1s,3s,5s)-2-[(2s)-2-(1,1-dimethylethoxycarbonyl)amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-1-oxoethyl]-2-azabicyclo[3.1.0]hexane-3-carbonylamine

    6. 3-(aminocarbonyl)-(alphas)-alpha-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-beta-oxo-(1s,3s,5 S)-2-azabicyclo[3.1.0]hexane-2-ethanecarbamic Acid, 1,1-dimethylethyl Ester

    7. 3-(aminocarbonyl)-(alphas)-alpha-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-beta-oxo-(1s,3s,5s)-2-azabicyclo[3.1.0]hexane-2-ethanecarbamic Acid, 1,1-dimethylethyl Ester

    8. Tert-butyl [(1s)-2-((1s,3s,5s)-3-carbamoyl-2-azabicyclo[3.1.0]hex-2-yl)-1-(3-hydroxytricyclo[3.3.1.1(3,7)]dec-1-yl)-2-oxoethyl]carbamate

    9. Tert-butyl [(1s)-2-[(1s,3s,5s)-3-carbamoyl-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxyadamantan-1-yl)-2-oxoethyl]carbamate

    10. Tert-butyl [(1s)-2-[(1s,3s,5s)-3-carbamoyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl)-2-oxoethyl]carbamate

    11. Tert-butyl((1s)-2-((1s,3s,5s)-3-carbamoyl-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxyadamantan-1-yl)-2-oxoethyl)carbamate

    2.3 Create Date
    2012-02-23
    3 Chemical and Physical Properties
    Molecular Weight 433.5 g/mol
    Molecular Formula C23H35N3O5
    XLogP31.5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass433.25767123 g/mol
    Monoisotopic Mass433.25767123 g/mol
    Topological Polar Surface Area122 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity807
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    • Privacy policy
    • Terms and conditions
    • Disclaimers
    • LinkedIn
    • Product listings are provided for informational purposes only. We do not supply or sell any products. Any products that may be covered by patent(s) are supplied solely for uses permitted under Section 107A of the Indian Patents Act and not for commercial sale.