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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 > nodulopeptin 899
organooxygen compound > carboxamide > peptide > oligopeptide > nodulopeptin 899
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > oligopeptide > nodulopeptin 899
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > oligopeptide > nodulopeptin 899
... > 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 > nodulopeptin 899

Preferred term

nodulopeptin 899  

Type

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

Broader concept

charge

  • 0

formula

  • C47H61N7O11

inchi

  • InChI=1S/C47H61N7O11/c1-29(2)40-44(60)49-36(24-20-31-13-7-5-8-14-31)45(61)54(4)39(25-21-32-18-22-34(56)23-19-32)43(59)50-38(28-65-30(3)55)41(57)48-26-12-11-17-35(42(58)53-40)51-47(64)52-37(46(62)63)27-33-15-9-6-10-16-33/h5-10,13-16,18-19,22-23,29,35-40,56H,11-12,17,20-21,24-28H2,1-4H3,(H,48,57)(H,49,60)(H,50,59)(H,53,58)(H,62,63)(H2,51,52,64)/t35-,36+,37+,38+,39+,40+/m1/s1

inchikey

  • GGPBHVWOLIWSOQ-YZPZITCLSA-N

mass

  • 900.043

monoisotopicmass

  • 899.44291

smiles

  • O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@H](C(N[C@H]1CCC2=CC=CC=C2)=O)C(C)C)=O)NC(=O)N[C@H](C(=O)O)CC3=CC=CC=C3)COC(=O)C)CCC4=CC=C(O)C=C4)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(3S,6S,9S,12S,15R)-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-phenylpropanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219202

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