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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 51-b
organooxygen compound > carboxamide > peptide > microginin 51-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 51-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 51-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 51-b

Preferred term

microginin 51-b  

Type

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

Broader concept

charge

  • 0

formula

  • C50H70N6O11

inchi

  • InChI=1S/C50H70N6O11/c1-7-8-9-10-11-13-38(51-4)44(60)46(62)52-39(28-32-15-21-35(57)22-16-32)47(63)55(6)43(31(2)3)49(65)54(5)42(30-34-19-25-37(59)26-20-34)48(64)56-27-12-14-41(56)45(61)53-40(50(66)67)29-33-17-23-36(58)24-18-33/h15-26,31,38-44,51,57-60H,7-14,27-30H2,1-6H3,(H,52,62)(H,53,61)(H,66,67)/t38-,39-,40-,41+,42-,43-,44-/m0/s1

inchikey

  • DHZQUBRGHKSKJI-GLEMDPEOSA-N

mass

  • 931.141

monoisotopicmass

  • 930.51026

smiles

  • O=C(N[C@H](C(=O)O)CC1=CC=C(O)C=C1)[C@@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)[C@@H](NC)CCCCCCC)CC3=CC=C(O)C=C3)C)C(C)C)C)CC4=CC=C(O)C=C4)CCC2

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(2R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-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:200427

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