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Chemistry, part 1

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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 > dipeptide > aeruginosin 102 b
... > organooxygen compound > carboxamide > peptide > oligopeptide > dipeptide > aeruginosin 102 b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > oligopeptide > dipeptide > aeruginosin 102 b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > oligopeptide > dipeptide > aeruginosin 102 b
... > 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 > dipeptide > aeruginosin 102 b

Preferred term

aeruginosin 102 b  

Type

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

Broader concept

charge

  • 0

formula

  • C33H44N6O11S

inchi

  • InChI=1S/C33H44N6O11S/c34-33(35)38-13-1-2-24(31(38)45)36-29(43)27-16-20-7-10-22(41)17-26(20)39(27)32(46)25(14-18-3-8-21(40)9-4-18)37-30(44)28(42)15-19-5-11-23(12-6-19)50-51(47,48)49/h3-6,8-9,11-12,20,22,24-28,31,40-42,45H,1-2,7,10,13-17H2,(H3,34,35)(H,36,43)(H,37,44)(H,47,48,49)/t20?,22?,24-,25-,26?,27?,28-,31?/m1/s1

inchikey

  • GIQUSRUOIKSAJD-PEBUMYOCSA-N

mass

  • 732.810

monoisotopicmass

  • 732.27888

smiles

  • S(=O)(=O)(OC1=CC=C(C[C@@H](O)C(=O)N[C@@H](C(=O)N2C3C(CCC(C3)O)CC2C(=O)N[C@H]4C(O)N(C(=N)N)CCC4)CC5=CC=C(O)C=C5)C=C1)O

subset

  • 2_STAR

synonym EXACT

  • [4-[(2R)-3-[[(2R)-1-[2-[[(3R)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]carbamoyl]-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-hydroxy-3-oxopropyl]phenyl] hydrogen sulate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198928

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