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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 > ammonium ion derivative > jte-607(2+)
... > chemical entity > molecular entity > ion > cation > polyatomic cation > ammonium ion derivative > jte-607(2+)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic cation > ammonium ion derivative > jte-607(2+)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic cation > ammonium ion derivative > jte-607(2+)
... > chemical entity > molecular entity > ion > cation > organic cation > jte-607(2+)
... > chemical entity > molecular entity > ion > organic ion > organic cation > jte-607(2+)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic cation > jte-607(2+)

Preferred term

jte-607(2+)  

Type

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

Broader concept

charge

  • +2

formula

  • C25H33Cl2N3O5

inchi

  • InChI=1S/C25H31Cl2N3O5/c1-3-34-25(33)20(15-17-7-5-4-6-8-17)28-24(32)18-16-19(26)23(21(27)22(18)31)35-14-13-30-11-9-29(2)10-12-30/h4-8,16,20,31H,3,9-15H2,1-2H3,(H,28,32)/p+2/t20-/m0/s1

inchikey

  • IPSSXIMJJXSJQB-FQEVSTJZSA-P

is_conjugate_acid_of

mass

  • 526.450

monoisotopicmass

  • 525.17863

smiles

  • CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CC(Cl)=C(OCC[NH+]2CC[NH+](C)CC2)C(Cl)=C1O

subset

  • 3_STAR

synonym EXACT

  • ethyl N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazinediium-1-yl)ethoxy]benzoyl}-L-phenylalaninate

synonym RELATED

  • 1-[2-(2,6-dichloro-4-{[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}-3-hydroxyphenoxy)ethyl]-4-methylpiperazinediium
  • JTE-607 dication

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:167632

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