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CHEBI:214565 - Brintonamide E

ChEBI IDCHEBI:214565
ChEBI NameBrintonamide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H66N6O10
Net Charge0
Average Mass887.088
Monoisotopic Mass886.48404
SMILESCCC(C)C(OC(=O)/C=C\c1ccccc1)C(=O)N1CCCC1C(=O)NCC(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)N(C)C(Cc1ccccc1)C(=O)N1CCCC1C(=O)OC
InChIInChI=1S/C48H66N6O10/c1-9-32(4)42(64-41(56)25-24-34-18-12-10-13-19-34)47(61)53-26-16-22-36(53)43(57)49-30-40(55)51(6)38(28-31(2)3)44(58)50-33(5)45(59)52(7)39(29-35-20-14-11-15-21-35)46(60)54-27-17-23-37(54)48(62)63-8/h10-15,18-21,24-25,31-33,36-39,42H,9,16-17,22-23,26-30H2,1-8H3,(H,49,57)(H,50,58)/b25-24-
InChIKeyBLBGDRJUWRFEDQ-IZHYLOQSSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Brintonamide E (CHEBI:214565) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
methyl 1-[2-[methyl-[2-[[4-methyl-2-[methyl-[2-[[1-[3-methyl-2-[(Z)-3-phenylprop-2-enoyl]oxypentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate