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- ChemComp-FVK: ~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]et... -

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Basic information

EntryDatabase: PDB chemical components / ID: FVK
NameName: ~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide

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Chemical information

Composition
Formula: C16H25N3O5 / Number of atoms: 49 / Formula weight: 339.387 / Formal charge: 0
Others

6h7n

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FVK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6H7N
History
Create componentJul 31, 2018
Initial releaseOct 17, 2018
External linksUniChem / ChemSpider / Nikkaji / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385O[CH](CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2
OpenEye OEToolkits 2.0.6c1cc(ccc1O)OCC(CNCCNC(=O)N2CCOCC2)O

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SMILES CANONICAL

CACTVS 3.385O[C@@H](CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2
OpenEye OEToolkits 2.0.6c1cc(ccc1O)OC[C@H](CNCCNC(=O)N2CCOCC2)O

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InChI

InChI 1.03InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)/t14-/m0/s1

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InChIKey

InChI 1.03DXPOSRCHIDYWHW-AWEZNQCLSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide

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PDB entries

Showing all 1 items

PDB-6h7n:
ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND PARTIAL AGONIST XAMOTEROL AND NANOBODY Nb6B9

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