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

Preferred term

bonnevillamide b  

Type

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

Broader concept

charge

  • 0

formula

  • C42H62Cl2N6O13

inchi

  • InChI=1S/C42H62Cl2N6O13/c1-19(2)13-27(46-38(56)33(23(8)51)47-37(55)32(53)17-24-15-25(43)35(63-9)26(44)16-24)39(57)49-22(7)31(52)18-30(49)36(54)45-28(14-20(3)4)40(58)50(62)34(21(5)6)41(59)48-12-10-11-29(48)42(60)61/h15-17,19-23,27-31,33-34,51-53,62H,10-14,18H2,1-9H3,(H,45,54)(H,46,56)(H,47,55)(H,60,61)/b32-17-/t22-,23-,27+,28+,29+,30+,31+,33+,34+/m1/s1

inchikey

  • AVTCVNMFVPXIBY-VZWBLCLLSA-N

mass

  • 929.890

monoisotopicmass

  • 928.37519

smiles

  • ClC1=C(OC)C(Cl)=CC(=C1)/C=C(/O)/C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N(O)[C@H](C(=O)N3[C@H](C(=O)O)CCC3)C(C)C)CC(C)C)C[C@@H]([C@H]2C)O)CC(C)C)[C@H](O)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-1-[(2S)-2-[[(2S)-2-[[(2S,4S,5R)-1-[(2S)-2-[[(2S,3R)-2-[[(Z)-3-(3,5-dichloro-4-methoxyphenyl)-2-hydroxyprop-2-enoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]-4-hydroxy-5-methylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]-hydroxyamino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212787

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