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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > ureas > 2-[(1s,3r,4as,9ar)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-(2-methoxyethyl)acetamide

Preferred term

2-[(1s,3r,4as,9ar)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-(2-methoxyethyl)acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C25H31N3O7

inchi

  • InChI=1S/C25H31N3O7/c1-32-10-9-26-23(30)13-18-12-20-19-11-16(5-8-21(19)35-24(20)22(14-29)34-18)28-25(31)27-15-3-6-17(33-2)7-4-15/h3-8,11,18,20,22,24,29H,9-10,12-14H2,1-2H3,(H,26,30)(H2,27,28,31)/t18-,20+,22+,24-/m1/s1

inchikey

  • DSSRCRDYJCNLRE-HJBWUJCXSA-N

mass

  • 485.531

monoisotopicmass

  • 485.21620

smiles

  • COCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:122868

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