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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 > cyclic peptide > nodulapeptin 881b
organooxygen compound > carboxamide > peptide > cyclic peptide > nodulapeptin 881b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > cyclic peptide > nodulapeptin 881b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > cyclic peptide > nodulapeptin 881b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > cyclic peptide > nodulapeptin 881b

Preferred term

nodulapeptin 881b  

Type

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

Broader concept

charge

  • 0

formula

  • C45H67N7O9S

inchi

  • InChI=1S/C45H67N7O9S/c1-7-28(3)37-42(57)48-35(23-19-30-14-10-9-11-15-30)43(58)52(5)36(24-20-31-17-21-32(53)22-18-31)41(56)47-34(25-27-62-6)39(54)46-26-13-12-16-33(40(55)50-37)49-45(61)51-38(44(59)60)29(4)8-2/h9-11,14-15,17-18,21-22,28-29,33-38,53H,7-8,12-13,16,19-20,23-27H2,1-6H3,(H,46,54)(H,47,56)(H,48,57)(H,50,55)(H,59,60)(H2,49,51,61)

inchikey

  • YNLGZOMVPIVMEJ-UHFFFAOYSA-N

mass

  • 882.130

monoisotopicmass

  • 881.47210

smiles

  • S(CCC1NC(=O)C(N(C(=O)C(NC(=O)C(C(CC)C)NC(C(CCCCNC1=O)NC(=O)NC(C(=O)O)C(CC)C)=O)CCC2=CC=CC=C2)C)CCC3=CC=C(O)C=C3)C

subset

  • 2_STAR

synonym EXACT

  • 2-[[12-butan-2-yl-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3-(2-methylsulanylethyl)-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221968

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