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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ether > aromatic ether > 2-[(3r,6ar,8s,10ar)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-(2-thiazolyl)acetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > 2-[(3r,6ar,8s,10ar)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-(2-thiazolyl)acetamide
... > 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 ether > 2-[(3r,6ar,8s,10ar)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-(2-thiazolyl)acetamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 2-[(3r,6ar,8s,10ar)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-(2-thiazolyl)acetamide

Preferred term

2-[(3r,6ar,8s,10ar)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-(2-thiazolyl)acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C27H31N3O5S

inchi

  • InChI=1S/C27H31N3O5S/c31-20-16-30(15-19-6-8-22(9-7-19)34-21-4-2-1-3-5-21)24-11-10-23(35-25(24)18-33-17-20)14-26(32)29-27-28-12-13-36-27/h1-9,12-13,20,23-25,31H,10-11,14-18H2,(H,28,29,32)/t20-,23+,24-,25+/m1/s1

inchikey

  • HOVDDXWDVMUCEB-YFJHUXEUSA-N

mass

  • 509.619

monoisotopicmass

  • 509.19844

smiles

  • C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=CC=C(C=C3)OC4=CC=CC=C4)O)O[C@@H]1CC(=O)NC5=NC=CS5

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:125345

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