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

Preferred term

pentaminomycin c  

Type

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

Broader concept

charge

  • 0

formula

  • C37H51N9O6

inchi

  • InChI=1S/C37H51N9O6/c1-21(2)17-28-35(50)45-31(22(3)4)36(51)44-30(19-24-20-40-26-14-9-8-13-25(24)26)34(49)41-27(15-10-16-46(52)37(38)39)32(47)43-29(33(48)42-28)18-23-11-6-5-7-12-23/h5-9,11-14,20-22,27-31,40,52H,10,15-19H2,1-4H3,(H3,38,39)(H,41,49)(H,42,48)(H,43,47)(H,44,51)(H,45,50)/t27-,28-,29+,30-,31+/m0/s1

inchikey

  • CWPJDJNWWFRWOO-XVEIJSAGSA-N

mass

  • 717.872

monoisotopicmass

  • 717.39623

smiles

  • O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H]1C(C)C)=O)CC(C)C)=O)CC2=CC=CC=C2)CCCN(O)C(=N)N)CC=3C4=C(C=CC=C4)NC3

subset

  • 2_STAR

synonym EXACT

  • 1-[3-[(2S,5R,8S,11R,14S)-5-benzyl-14-(1H-indol-3-ylmethyl)-8-(2-methylpropyl)-3,6,9,12,15-pentaoxo-11-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-1-hydroxyguanidine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223138

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