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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 > carboxamide > peptide > oligopeptide > wbeta2218
organooxygen compound > carboxamide > peptide > oligopeptide > wbeta2218
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > oligopeptide > wbeta2218
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > oligopeptide > wbeta2218
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > oligopeptide > wbeta2218

Preferred term

wbeta2218  

Type

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

Broader concept

charge

  • 0

formula

  • C27H42N4O4

inchi

  • InChI=1S/C27H42N4O4/c1-7-16(4)21-25(33)28-20(15-19-13-11-10-12-14-19)24(32)29-22(17(5)8-2)26(34)31-23(18(6)9-3)27(35)30-21/h10-14,16-18,20-23H,7-9,15H2,1-6H3,(H,28,33)(H,29,32)(H,30,35)(H,31,34)/t16-,17-,18-,20-,21-,22-,23-/m0/s1

inchikey

  • ZRUGSOVQAHAWHC-GSLJADNHSA-N

mass

  • 486.657

monoisotopicmass

  • 486.32061

smiles

  • O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H]1[C@H](CC)C)=O)[C@H](CC)C)CC2=CC=CC=C2)[C@H](CC)C

subset

  • 2_STAR

synonym EXACT

  • (3S,6S,9S,12S)-3-benzyl-6,9,12-tris[(2S)-butan-2-yl]-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225060

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