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CHEBI:200236 - FR900452

ChEBI IDCHEBI:200236
ChEBI NameFR900452
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SubmitterMetaboLights
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FormulaC22H25N3O3S
Net Charge0
Average Mass411.527
Monoisotopic Mass411.16166
SMILESCSC[C@@H]1N/C(=C2/CC=CC2=O)[C@H]([C@@H](C)[C@@H]2C(=O)N(C)c3ccccc32)NC1=O
InChIInChI=1S/C22H25N3O3S/c1-12(18-13-7-4-5-9-16(13)25(2)22(18)28)19-20(14-8-6-10-17(14)26)23-15(11-29-3)21(27)24-19/h4-7,9-10,12,15,18-19,23H,8,11H2,1-3H3,(H,24,27)/b20-14-/t12-,15-,18-,19-/m0/s1
InChIKeyUAPDNDKYPBHNQT-WYQUJLIOSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1021/jo00391a071)
ChEBI Ontology
Outgoing Relation(s)
FR900452 (CHEBI:200236) is a amino acid amide (CHEBI:22475)
IUPAC Name 
(3S)-1-methyl-3-[(1S)-1-[(2S,3Z,5R)-5-(methylsulanylmethyl)-6-oxo-3-(2-oxocyclopent-3-en-1-ylidene)piperazin-2-yl]ethyl]-3H-indol-2-one
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