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Concept information

Preferred term

n-[(2r,3r,6r)-6-[2-[[(3,5-dichlorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C21H28Cl2N2O5

inchi

  • InChI=1S/C21H28Cl2N2O5/c22-15-9-14(10-16(23)11-15)20(27)24-6-3-17-1-2-18(19(12-26)30-17)25-21(28)13-4-7-29-8-5-13/h9-11,13,17-19,26H,1-8,12H2,(H,24,27)(H,25,28)/t17-,18-,19+/m1/s1

inchikey

  • BBKVVMQWFBDXMC-QRVBRYPASA-N

mass

  • 459.364

monoisotopicmass

  • 458.13753

smiles

  • C1C[C@H]([C@@H](O[C@H]1CCNC(=O)C2=CC(=CC(=C2)Cl)Cl)CO)NC(=O)C3CCOCC3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:99458

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