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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 > microginin 299-b
organooxygen compound > carboxamide > peptide > microginin 299-b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > microginin 299-b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > microginin 299-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 > microginin 299-b

Preferred term

microginin 299-b  

Type

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

Broader concept

charge

  • 0

formula

  • C45H66Cl2N6O10

inchi

  • InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1

inchikey

  • IPQXHBHVRZYMAN-RATCGQHHSA-N

mass

  • 921.960

monoisotopicmass

  • 920.42175

smiles

  • ClC(Cl)CCCCCC[C@H](N)[C@H](O)C(=O)N[C@H](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)CC3=CC=C(O)C=C3)C)C(C)C)C)C(C)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216398

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