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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-[4-oxanyl(oxo)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-[4-oxanyl(oxo)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

  • C28H30N2O4

inchi

  • InChI=1S/C28H30N2O4/c31-19-25-27(22-11-9-21(10-12-22)8-4-7-20-5-2-1-3-6-20)24-17-29(18-26(32)30(24)25)28(33)23-13-15-34-16-14-23/h1-3,5-6,9-12,23-25,27,31H,7,13-19H2/t24-,25-,27+/m0/s1

inchikey

  • OTPKLDQQMJMGEP-OHSXHVKISA-N

mass

  • 458.550

monoisotopicmass

  • 458.22056

smiles

  • C1COCCC1C(=O)N2C[C@H]3[C@H]([C@@H](N3C(=O)C2)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:129904

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