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Concept information

Preferred term

n-[2-[(2r,5s,6r)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C22H27ClN4O4

inchi

  • InChI=1S/C22H27ClN4O4/c23-15-4-6-16(7-5-15)26-22(30)27-19-9-8-18(31-20(19)14-28)10-12-25-21(29)13-17-3-1-2-11-24-17/h1-7,11,18-20,28H,8-10,12-14H2,(H,25,29)(H2,26,27,30)/t18-,19+,20+/m1/s1

inchikey

  • JTIOTWTUDVMQPE-AABGKKOBSA-N

mass

  • 446.928

monoisotopicmass

  • 446.17208

smiles

  • C1C[C@@H]([C@@H](O[C@H]1CCNC(=O)CC2=CC=CC=N2)CO)NC(=O)NC3=CC=C(C=C3)Cl

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:102755

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