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CHEBI:205407 - Norbisebromoamide

ChEBI IDCHEBI:205407
ChEBI NameNorbisebromoamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H70BrN7O8S
Net Charge0
Average Mass1009.122
Monoisotopic Mass1007.41900
SMILESCCC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CSC([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/C50H70BrN7O8S/c1-11-41(59)37-18-15-21-57(37)47(64)39(25-32-16-13-12-14-17-32)56(10)46(63)35(22-29(2)3)53-43(61)36-28-67-44(54-36)38-23-30(4)27-58(38)48(65)40(26-33-19-20-42(60)34(51)24-33)55(9)45(62)31(5)52-49(66)50(6,7)8/h12-14,16-17,19-20,24,29-31,35-40,60H,11,15,18,21-23,25-28H2,1-10H3,(H,52,66)(H,53,61)/t30-,31-,35+,36-,37-,38-,39-,40+/m0/s1
InChIKeyADHYVMBQQIBLSN-FXYFJLBQSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - DOI (10.1016/j.tet.2010.11.106)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Norbisebromoamide (CHEBI:205407) 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]-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]-4,5-dihydro-1,3-thiazole-4-carboxamide
Manual XrefsDatabases
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