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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > azamacrocycle > (s)-2-(4-(2-bromoacetamido)benzyl)-dota
organooxygen compound > carbonyl compound > carboxylic acid > tetracarboxylic acid > (s)-2-(4-(2-bromoacetamido)benzyl)-dota
organooxygen compound > carbon oxoacid > carboxylic acid > tetracarboxylic acid > (s)-2-(4-(2-bromoacetamido)benzyl)-dota
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > tetracarboxylic acid > (s)-2-(4-(2-bromoacetamido)benzyl)-dota
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > tetracarboxylic acid > (s)-2-(4-(2-bromoacetamido)benzyl)-dota

Preferred term

(s)-2-(4-(2-bromoacetamido)benzyl)-dota  

Type

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

Broader concept

charge

  • 0

formula

  • C25H36BrN5O9

has_functional_parent

inchi

  • InChI=1S/C25H36BrN5O9/c26-12-21(32)27-19-3-1-18(2-4-19)11-20-13-30(16-24(37)38)8-7-28(14-22(33)34)5-6-29(15-23(35)36)9-10-31(20)17-25(39)40/h1-4,20H,5-17H2,(H,27,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)/t20-/m0/s1

inchikey

  • AOBVUTGWKRRSRO-FQEVSTJZSA-N

mass

  • 630.48500

monoisotopicmass

  • 629.16964

smiles

  • OC(=O)CN1CCN(CCN(CC(O)=O)[C@H](CN(CC1)CC(O)=O)Cc1ccc(NC(=O)CBr)cc1)CC(O)=O

subset

  • 3_STAR

synonym RELATED

  • (S)-2-(4-(2-bromo-acetamido)benzyl)-DOTA
  • (S)BAD

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:63643

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