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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 879
organooxygen compound > carboxamide > peptide > cyclic peptide > nodulapeptin 879
... > 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 879
... > 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 879
... > 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 879

Preferred term

nodulapeptin 879  

Type

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

Broader concept

charge

  • 0

formula

  • C45H65N7O11

inchi

  • InChI=1S/C45H65N7O11/c1-7-27(3)37-42(58)47-34(23-19-30-14-10-9-11-15-30)43(59)52(6)36(24-20-31-17-21-32(54)22-18-31)41(57)48-35(26-63-29(5)53)39(55)46-25-13-12-16-33(40(56)50-37)49-45(62)51-38(44(60)61)28(4)8-2/h9-11,14-15,17-18,21-22,27-28,33-38,54H,7-8,12-13,16,19-20,23-26H2,1-6H3,(H,46,55)(H,47,58)(H,48,57)(H,50,56)(H,60,61)(H2,49,51,62)

inchikey

  • LTVNLDSXISIYIL-UHFFFAOYSA-N

mass

  • 880.053

monoisotopicmass

  • 879.47421

smiles

  • O=C1N(C(C(=O)NC(C(=O)NCCCCC(C(NC(C(NC1CCC2=CC=CC=C2)=O)C(CC)C)=O)NC(=O)NC(C(=O)O)C(CC)C)COC(=O)C)CCC3=CC=C(O)C=C3)C

subset

  • 2_STAR

synonym EXACT

  • 2-[[3-(acetyloxymethyl)-12-butan-2-yl-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-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:221975

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