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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 > organonitrogen compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > lsm-30911
... > organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > lsm-30911
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > lsm-30911
organooxygen compound > carbonyl compound > carboxylic acid > indolyl carboxylic acid > lsm-30911
organooxygen compound > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > lsm-30911
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > lsm-30911
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > lsm-30911

Preferred term

lsm-30911  

Type

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

Broader concept

charge

  • 0

formula

  • C33H36N4O5S

inchi

  • InChI=1S/C33H36N4O5S/c1-22-18-37(23(2)20-38)33(39)32-31(28-11-7-8-12-29(28)36(32)4)27-10-6-5-9-25(27)21-42-30(22)19-35(3)43(40,41)26-15-13-24(17-34)14-16-26/h5-16,22-23,30,38H,18-21H2,1-4H3/t22-,23+,30-/m0/s1

inchikey

  • JOGVUONFALHXEE-BURCIIJTSA-N

mass

  • 600.730

monoisotopicmass

  • 600.24064

smiles

  • C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C#N)C5=CC=CC=C5N2C)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:119462

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