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CHEBI:210459 - Aeruginosamide 671

ChEBI IDCHEBI:210459
ChEBI NameAeruginosamide 671
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H45N5O5S
Net Charge0
Average Mass671.864
Monoisotopic Mass671.31414
SMILESC=CC(C)(C)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)N1CCCC1c1nc(C(=O)OC)cs1
InChIInChI=1S/C37H45N5O5S/c1-5-37(2,3)40-27(22-25-14-8-6-9-15-25)32(43)38-28(23-26-16-10-7-11-17-26)34(44)42-21-13-19-31(42)35(45)41-20-12-18-30(41)33-39-29(24-48-33)36(46)47-4/h5-11,14-17,24,27-28,30-31,40H,1,12-13,18-23H2,2-4H3,(H,38,43)
InChIKeyIIMKUAKIRYOISV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Limnoraphisspecies CCNP1324 (ncbitaxon:2854020) - PubMed (32867236)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Aeruginosamide 671 (CHEBI:210459) is a oligopeptide (CHEBI:25676)
IUPAC Name 
methyl 2-[1-[1-[2-[[2-(2-methylbut-3-en-2-ylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
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