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Chemistry, part 1

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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 > carboxamide > monocarboxylic acid amide > hapten otae
organooxygen compound > carboxamide > monocarboxylic acid amide > hapten otae
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > monocarboxylic acid amide > hapten otae
organochlorine compound > hapten otae
chemical entity > chemical substance > mixture > diastereoisomeric mixture > hapten otae
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > phenylalanine derivative > l-phenylalanine derivative > n-acyl-l-phenylalanine > hapten otae
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > proteinogenic amino acid derivative > l-phenylalanine derivative > n-acyl-l-phenylalanine > hapten otae
... > organooxygen compound > carbonyl compound > carboxylic acid > n-acyl-amino acid > n-acyl-l-amino acid > n-acyl-l-phenylalanine > hapten otae
... > organooxygen compound > carbon oxoacid > carboxylic acid > n-acyl-amino acid > n-acyl-l-amino acid > n-acyl-l-phenylalanine > hapten otae
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > n-acyl-l-amino acid > n-acyl-l-phenylalanine > hapten otae
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > n-acyl-l-amino acid > n-acyl-l-phenylalanine > hapten otae
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > n-acyl-amino acid > n-acyl-l-amino acid > n-acyl-l-phenylalanine > hapten otae
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > n-acyl-amino acid > n-acyl-l-amino acid > n-acyl-l-phenylalanine > hapten otae
... > organooxygen compound > carboxamide > n-acyl-amino acid > n-acyl-l-amino acid > n-acyl-l-phenylalanine > hapten otae
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > n-acyl-amino acid > n-acyl-l-amino acid > n-acyl-l-phenylalanine > hapten otae
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > phenylalanine derivative > hapten otae

Preferred term

hapten otae  

Type

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

Broader concept

charge

  • 0

formula

  • C26H29ClN2O7

has_functional_parent

has_role

inchi

  • InChI=1S/C26H29ClN2O7/c1-15-12-17-19(27)14-18(23(32)22(17)26(35)36-15)24(33)29-20(13-16-8-4-2-5-9-16)25(34)28-11-7-3-6-10-21(30)31/h2,4-5,8-9,14-15,20,32H,3,6-7,10-13H2,1H3,(H,28,34)(H,29,33)(H,30,31)/t15?,20-/m0/s1

inchikey

  • CEPUVBUZIGYDKM-MBABXSBOSA-N

mass

  • 516.972

monoisotopicmass

  • 516.16633

smiles

  • C1=CC=CC=C1C[C@@H](C(NCCCCCC(O)=O)=O)NC(=O)C2=CC(=C3C(=C2O)C(OC(C3)C)=O)Cl

subset

  • 3_STAR

synonym EXACT

  • 6-({(2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl)amino]-3-phenylpropanoyl}amino)hexanoic acid

synonym RELATED

  • 6-[[(2S)-2-[[(5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]amino]-1-oxo-3-phenylpropyl]amino]hexanoic acid
  • 6-{[(2S)-2-{[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl)carbonyl]amino}-3-phenylpropanoyl]amino}hexanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:141327

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