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CHEBI:213219 - Bisebromoamide

ChEBI IDCHEBI:213219
ChEBI NameBisebromoamide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC51H72BrN7O8S
Net Charge0
Average Mass1023.149
Monoisotopic Mass1021.43465
SMILESCCC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](CC(C)C)NC(=O)[C@]1(C)CSC([C@@H]2C[C@H](C)CN2C(=O)[C@@H](Cc2ccc(O)c(Br)c2)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C)=N1
InChIInChI=1S/C51H72BrN7O8S/c1-12-41(60)37-19-16-22-58(37)46(64)39(26-33-17-14-13-15-18-33)57(11)45(63)36(23-30(2)3)54-49(67)51(9)29-68-43(55-51)38-24-31(4)28-59(38)47(65)40(27-34-20-21-42(61)35(52)25-34)56(10)44(62)32(5)53-48(66)50(6,7)8/h13-15,17-18,20-21,25,30-32,36-40,61H,12,16,19,22-24,26-29H2,1-11H3,(H,53,66)(H,54,67)/t31-,32-,36+,37-,38-,39-,40+,51-/m0/s1
InChIKeyXNEWSWFKSIOKDS-VUFZTDKHSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - PubMed (19803465)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Bisebromoamide (CHEBI:213219) is a dipeptide (CHEBI:46761)
IUPAC Name 
(4R)-2-[(2S,4S)-1-[(2R)-3-(3-bromo-4-hydroxyphenyl)-2-[[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-methylamino]propanoyl]-4-methylpyrrolidin-2-yl]-4-methyl-N-[(2R)-4-methyl-1-[methyl-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-propanoylpyrrolidin-1-yl]propan-2-yl]amino]-1-oxopentan-2-yl]-5H-1,3-thiazole-4-carboxamide
Manual XrefsDatabases
27025887ChemSpider