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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-[(2r,4as,12ar)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid

Preferred term

2-[(2r,4as,12ar)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C23H25N3O6

inchi

  • InChI=1S/C23H25N3O6/c1-26-18-9-8-16(12-21(27)28)32-20(18)13-31-19-10-7-15(11-17(19)22(26)29)25-23(30)24-14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12-13H2,1H3,(H,27,28)(H2,24,25,30)/t16-,18+,20+/m1/s1

inchikey

  • HJRBVKTVNLVVPO-KPFFTGBYSA-N

mass

  • 439.462

monoisotopicmass

  • 439.17434

smiles

  • CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4)CC(=O)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:100856

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