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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 865
organooxygen compound > carboxamide > peptide > cyclic peptide > nodulapeptin 865
... > 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 865
... > 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 865
... > 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 865

Preferred term

nodulapeptin 865  

Type

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

Broader concept

charge

  • 0

formula

  • C44H63N7O11

inchi

  • InChI=1S/C44H63N7O11/c1-7-27(4)37(43(59)60)50-44(61)48-32-15-11-12-24-45-38(54)34(25-62-28(5)52)47-40(56)35(23-19-30-16-20-31(53)21-17-30)51(6)42(58)33(22-18-29-13-9-8-10-14-29)46-41(57)36(26(2)3)49-39(32)55/h8-10,13-14,16-17,20-21,26-27,32-37,53H,7,11-12,15,18-19,22-25H2,1-6H3,(H,45,54)(H,46,57)(H,47,56)(H,49,55)(H,59,60)(H2,48,50,61)

inchikey

  • LJMYZXGDSMLVQH-UHFFFAOYSA-N

mass

  • 866.026

monoisotopicmass

  • 865.45856

smiles

  • O=C1N(C(C(=O)NC(C(=O)NCCCCC(C(NC(C(NC1CCC2=CC=CC=C2)=O)C(C)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)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221474

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