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CHEBI:221082 - Aeruginosamide B

ChEBI IDCHEBI:221082
ChEBI NameAeruginosamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38N4O4S
Net Charge0
Average Mass574.747
Monoisotopic Mass574.26138
SMILESC=CC(C)(C)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1nc(C(=O)OC)cs1
InChIInChI=1S/C32H38N4O4S/c1-5-32(2,3)35-24(19-22-13-8-6-9-14-22)28(37)33-25(20-23-15-10-7-11-16-23)30(38)36-18-12-17-27(36)29-34-26(21-41-29)31(39)40-4/h5-11,13-16,21,24-25,27,35H,1,12,17-20H2,2-4H3,(H,33,37)/t24-,25-,27-/m0/s1
InChIKeyJQFBTQXBHCKSHR-KLJDGLGGSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa PCC 9432 (ncbitaxon:1160280) - PubMed (23911585)
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 B (CHEBI:221082) is a peptide (CHEBI:16670)
IUPAC Name 
methyl 2-[(2S)-1-[(2S)-2-[[(2S)-2-(2-methylbut-3-en-2-ylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate