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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-[(2s,4as,12as)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-(2-pyridin-4-ylethyl)acetamide

Preferred term

2-[(2s,4as,12as)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-(2-pyridin-4-ylethyl)acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C30H32FN5O5

inchi

  • InChI=1S/C30H32FN5O5/c1-36-25-8-7-21(17-28(37)33-15-12-19-10-13-32-14-11-19)41-27(25)18-40-26-9-6-20(16-22(26)29(36)38)34-30(39)35-24-5-3-2-4-23(24)31/h2-6,9-11,13-14,16,21,25,27H,7-8,12,15,17-18H2,1H3,(H,33,37)(H2,34,35,39)/t21-,25-,27+/m0/s1

inchikey

  • KLEFMXRWIUTPPC-IDNYDCHQSA-N

mass

  • 561.605

monoisotopicmass

  • 561.23875

smiles

  • CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4F)CC(=O)NCCC5=CC=NC=C5

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:99437

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