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CHEBI:212787 - Bonnevillamide B

ChEBI IDCHEBI:212787
ChEBI NameBonnevillamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H62Cl2N6O13
Net Charge0
Average Mass929.893
Monoisotopic Mass928.37519
SMILESCOc1c(Cl)cc(/C=C(\O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N2[C@H](C)[C@@H](O)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N(O)[C@H](C(=O)N2CCC[C@H]2C(=O)O)C(C)C)[C@@H](C)O)cc1Cl
InChIInChI=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
InChIKeyAVTCVNMFVPXIBY-VZWBLCLLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28672784)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Bonnevillamide B (CHEBI:212787) is a peptide (CHEBI:16670)
IUPAC Name 
(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
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