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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > aromatic compound > (6r,7r,8r)-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

Preferred term

(6r,7r,8r)-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one  

Type

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

Broader concept

charge

  • 0

formula

  • C27H24N4O3

inchi

  • InChI=1S/C27H24N4O3/c32-18-24-26(21-11-9-20(10-12-21)8-4-7-19-5-2-1-3-6-19)23-16-30(17-25(33)31(23)24)27(34)22-15-28-13-14-29-22/h1-3,5-6,9-15,23-24,26,32H,7,16-18H2/t23-,24-,26+/m0/s1

inchikey

  • HZKQITYUCMARAH-KYPHJKQUSA-N

mass

  • 452.505

monoisotopicmass

  • 452.18484

smiles

  • C1[C@H]2[C@H]([C@@H](N2C(=O)CN1C(=O)C3=NC=CN=C3)CO)C4=CC=C(C=C4)C#CCC5=CC=CC=C5

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:128583

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