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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > amino acid amide > n-[(2r,3s,6s)-2-(hydroxymethyl)-6-[2-[[2-(4-morpholinyl)-1-oxoethyl]amino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > amino acid amide > n-[(2r,3s,6s)-2-(hydroxymethyl)-6-[2-[[2-(4-morpholinyl)-1-oxoethyl]amino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
organooxygen compound > carboxamide > amino acid amide > n-[(2r,3s,6s)-2-(hydroxymethyl)-6-[2-[[2-(4-morpholinyl)-1-oxoethyl]amino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > amino acid amide > n-[(2r,3s,6s)-2-(hydroxymethyl)-6-[2-[[2-(4-morpholinyl)-1-oxoethyl]amino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide

Preferred term

n-[(2r,3s,6s)-2-(hydroxymethyl)-6-[2-[[2-(4-morpholinyl)-1-oxoethyl]amino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C22H31N3O7

inchi

  • InChI=1S/C22H31N3O7/c26-13-20-17(24-22(28)15-1-4-18-19(11-15)31-14-30-18)3-2-16(32-20)5-6-23-21(27)12-25-7-9-29-10-8-25/h1,4,11,16-17,20,26H,2-3,5-10,12-14H2,(H,23,27)(H,24,28)/t16-,17-,20-/m0/s1

inchikey

  • NAHOTKSUDDAWEB-ZWOKBUDYSA-N

mass

  • 449.498

monoisotopicmass

  • 449.21620

smiles

  • C1C[C@@H]([C@@H](O[C@@H]1CCNC(=O)CN2CCOCC2)CO)NC(=O)C3=CC4=C(C=C3)OCO4

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:122450

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