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CHEBI:212077 - Similanamide

Default Structure
ChEBI IDCHEBI:212077
ChEBI NameSimilanamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52N6O6
Net Charge0
Average Mass640.826
Monoisotopic Mass640.39483
SMILESCC(C)C[C@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]2CCCCN2C(=O)c2ccccc2NC(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C34H52N6O6/c1-19(2)17-25-30(42)38-28(21(5)6)32(44)36-24-14-10-9-13-23(24)33(45)40-16-12-11-15-26(40)34(46)39(8)27(18-20(3)4)31(43)35-22(7)29(41)37-25/h9-10,13-14,19-22,25-28H,11-12,15-18H2,1-8H3,(H,35,43)(H,36,44)(H,37,41)(H,38,42)/t22-,25+,26+,27-,28-/m0/s1
InChIKeyMFLJIVQNUIVQOL-BAVZPMSTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25789601)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Similanamide (CHEBI:212077) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(11S,14R,17S,20S,23R)-17,21-dimethyl-14,20-bis(2-methylpropyl)-11-propan-2-yl-1,9,12,15,18,21-hexazatricyclo[21.4.0.03,8]heptacosa-3,5,7-triene-2,10,13,16,19,22-hexone
Manual XrefsDatabases
35516825ChemSpider