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- ChemComp-L4N: (5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: L4N
NameName: (5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide

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Chemical information

Composition
Formula: C14H18N2O / Number of atoms: 35 / Formula weight: 230.306 / Formal charge: 0
Others

7gc0

Type: non-polymer / PDB classification: HETAIN / Three letter code: L4N / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7GC0
History
Create componentAug 15, 2023
Initial releaseNov 8, 2023
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C(Nc1cnccc1C)C1CCC2(CC2)C1
CACTVS 3.385Cc1ccncc1NC(=O)[CH]2CCC3(CC3)C2
OpenEye OEToolkits 2.0.7Cc1ccncc1NC(=O)C2CCC3(C2)CC3

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SMILES CANONICAL

CACTVS 3.385Cc1ccncc1NC(=O)[C@@H]2CCC3(CC3)C2
OpenEye OEToolkits 2.0.7Cc1ccncc1NC(=O)[C@@H]2CCC3(C2)CC3

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InChI

InChI 1.06InChI=1S/C14H18N2O/c1-10-3-7-15-9-12(10)16-13(17)11-2-4-14(8-11)5-6-14/h3,7,9,11H,2,4-6,8H2,1H3,(H,16,17)/t11-/m1/s1

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InChIKey

InChI 1.06FNCISWRYQRGLKF-LLVKDONJSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide
OpenEye OEToolkits 2.0.7(6~{R})-~{N}-(4-methylpyridin-3-yl)spiro[2.4]heptane-6-carboxamide

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PDB entries

Showing all 1 items

PDB-7gc0:
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-590ac91e-21 (Mpro-x10476)

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