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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic amide > 4-(dimethylamino)-n-[(2s,3r)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]butanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > aromatic amide > 4-(dimethylamino)-n-[(2s,3r)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]butanamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic amide > 4-(dimethylamino)-n-[(2s,3r)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]butanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > aromatic amide > 4-(dimethylamino)-n-[(2s,3r)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]butanamide

Preferred term

4-(dimethylamino)-n-[(2s,3r)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]butanamide  

Type

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

Broader concept

charge

  • 0

formula

  • C22H36N4O4

inchi

  • InChI=1S/C22H36N4O4/c1-15-13-26(16(2)14-27)22(29)18-11-17(24-21(28)7-6-10-25(4)5)8-9-19(18)30-20(15)12-23-3/h8-9,11,15-16,20,23,27H,6-7,10,12-14H2,1-5H3,(H,24,28)/t15-,16+,20-/m1/s1

inchikey

  • YREQKLPEMWXCQY-GQIGUUNPSA-N

mass

  • 420.546

monoisotopicmass

  • 420.27366

smiles

  • C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@@H]1CNC)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:111480

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