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CHEBI:214577 - Brintonamide B

ChEBI IDCHEBI:214577
ChEBI NameBrintonamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H58N6O9
Net Charge0
Average Mass742.915
Monoisotopic Mass742.42653
SMILESCOC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](O)C(C)C
InChIInChI=1S/C38H58N6O9/c1-23(2)20-29(41(6)31(45)22-39-33(47)27-16-12-18-43(27)37(51)32(46)24(3)4)34(48)40-25(5)35(49)42(7)30(21-26-14-10-9-11-15-26)36(50)44-19-13-17-28(44)38(52)53-8/h9-11,14-15,23-25,27-30,32,46H,12-13,16-22H2,1-8H3,(H,39,47)(H,40,48)/t25-,27-,28-,29-,30+,32+/m0/s1
InChIKeyJQMRBQCVOQBYQU-BANKALSUSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Brintonamide B (CHEBI:214577) is a peptide (CHEBI:16670)
IUPAC Name 
methyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2R)-2-hydroxy-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]-methylamino]-4-methylpentanoyl]amino]propanoyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
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