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CHEBI:219526 - Nidulanin A

ChEBI IDCHEBI:219526
ChEBI NameNidulanin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H45N5O5
Net Charge0
Average Mass603.764
Monoisotopic Mass603.34207
SMILESC=CC(C)(C)Nc1ccccc1C(=O)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C34H45N5O5/c1-8-34(6,7)39-24-17-13-12-16-23(24)27(40)19-26-30(41)35-25(18-22-14-10-9-11-15-22)31(42)37-29(21(4)5)33(44)38-28(20(2)3)32(43)36-26/h8-17,20-21,25-26,28-29,39H,1,18-19H2,2-7H3,(H,35,41)(H,36,43)(H,37,42)(H,38,44)/t25-,26-,28-,29+/m0/s1
InChIKeyLNEVFEMBQYJQGA-ZSLRCHCDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nidulans (ncbitaxon:162425) - PubMed (23248299)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nidulanin A (CHEBI:219526) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6S,9S,12R)-3-benzyl-6-[2-[2-(2-methylbut-3-en-2-ylamino)phenyl]-2-oxoethyl]-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone