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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 > microginin kr801
organooxygen compound > carboxamide > peptide > microginin kr801
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > microginin kr801
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > microginin kr801
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > microginin kr801

Preferred term

microginin kr801  

Type

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

Broader concept

charge

  • 0

formula

  • C41H60ClN5O9

inchi

  • InChI=1S/C41H60ClN5O9/c1-26(2)23-35(40(54)47-22-10-12-34(47)37(51)45-33(41(55)56)25-28-15-19-30(49)20-16-28)46(4)39(53)32(24-27-13-17-29(48)18-14-27)44-38(52)36(50)31(43-3)11-8-6-5-7-9-21-42/h13-20,26,31-36,43,48-50H,5-12,21-25H2,1-4H3,(H,44,52)(H,45,51)(H,55,56)/t31-,32+,33+,34-,35-,36-/m0/s1

inchikey

  • JVWJLDYSLLPVBU-VBBYNRSSSA-N

mass

  • 802.410

monoisotopicmass

  • 801.40796

smiles

  • ClCCCCCCC[C@H](NC)[C@H](O)C(=O)N[C@@H](C(=O)N([C@H](C(=O)N1[C@H](C(=O)N[C@@H](C(=O)O)CC2=CC=C(O)C=C2)CCC1)CC(C)C)C)CC3=CC=C(O)C=C3

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-10-chloro-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213818

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