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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 > anabaenopeptin sa10
organooxygen compound > carboxamide > peptide > cyclic peptide > anabaenopeptin sa10
... > 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 > anabaenopeptin sa10
... > 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 > anabaenopeptin sa10
... > 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 > anabaenopeptin sa10

Preferred term

anabaenopeptin sa10  

Type

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

Broader concept

charge

  • 0

formula

  • C44H56ClN7O10

inchi

  • InChI=1S/C44H56ClN7O10/c1-26(2)38-41(58)48-34(20-14-27-12-17-30(53)18-13-27)42(59)52(3)25-37(55)47-33(19-15-29-16-21-36(54)31(45)23-29)39(56)46-22-8-7-11-32(40(57)51-38)49-44(62)50-35(43(60)61)24-28-9-5-4-6-10-28/h4-6,9-10,12-13,16-18,21,23,26,32-35,38,53-54H,7-8,11,14-15,19-20,22,24-25H2,1-3H3,(H,46,56)(H,47,55)(H,48,58)(H,51,57)(H,60,61)(H2,49,50,62)/t32-,33+,34+,35+,38-/m1/s1

inchikey

  • WOIGHBADSHJGAI-JVCFYIMBSA-N

mass

  • 878.420

monoisotopicmass

  • 877.37772

smiles

  • ClC1=C(O)C=CC(=C1)CC[C@@H]2NC(=O)CN(C(=O)[C@@H](NC(=O)[C@@H](C(C)C)NC([C@@H](CCCCNC2=O)NC(=O)N[C@H](C(=O)O)CC3=CC=CC=C3)=O)CCC4=CC=C(O)C=C4)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(3S,9S,12R,15R)-3-[2-(3-chloro-4-hydroxyphenyl)ethyl]-9-[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-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:222046

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