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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 sa5
organooxygen compound > carboxamide > peptide > cyclic peptide > anabaenopeptin sa5
... > 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 sa5
... > 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 sa5
... > 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 sa5

Preferred term

anabaenopeptin sa5  

Type

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

Broader concept

charge

  • 0

formula

  • C43H62N8O9

inchi

  • InChI=1S/C43H62N8O9/c1-6-27(4)36(42(58)59)50-43(60)48-30-21-13-14-23-45-37(53)32(24-29-18-11-8-12-19-29)47-39(55)33(25-34(44)52)51(5)41(57)31(22-15-20-28-16-9-7-10-17-28)46-40(56)35(26(2)3)49-38(30)54/h7-12,16-19,26-27,30-33,35-36H,6,13-15,20-25H2,1-5H3,(H2,44,52)(H,45,53)(H,46,56)(H,47,55)(H,49,54)(H,58,59)(H2,48,50,60)/t27-,30-,31+,32+,33+,35+,36+/m1/s1

inchikey

  • KVYLYUVJJLXIHV-VHLFBZMTSA-N

mass

  • 835.016

monoisotopicmass

  • 834.46398

smiles

  • O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@H](C(N[C@H]1CCCC2=CC=CC=C2)=O)C(C)C)=O)NC(=O)N[C@H](C(=O)O)[C@@H](CC)C)CC3=CC=CC=C3)CC(=O)N)C

subset

  • 2_STAR

synonym EXACT

  • (2S,3R)-2-[[(3S,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-3-benzyl-7-methyl-2,5,8,11,14-pentaoxo-9-(3-phenylpropyl)-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:222089

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