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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)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

Preferred term

2-[(1s,3r,4as,9ar)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C22H24N2O6

inchi

  • InChI=1S/C22H24N2O6/c1-28-20(26)11-15-10-17-16-9-14(24-22(27)23-13-5-3-2-4-6-13)7-8-18(16)30-21(17)19(12-25)29-15/h2-9,15,17,19,21,25H,10-12H2,1H3,(H2,23,24,27)/t15-,17+,19+,21-/m1/s1

inchikey

  • BVQWYDMOVFWUGX-ZWVMGRIOSA-N

mass

  • 412.437

monoisotopicmass

  • 412.16344

smiles

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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:101995

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