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CHEBI:212540 - 12-N-methyl-14-hydroxycyclo-(L-4-nitrotryptophyl-L-phenylalanyl)

ChEBI IDCHEBI:212540
ChEBI Name12-N-methyl-14-hydroxycyclo-(L-4-nitrotryptophyl-L-phenylalanyl)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20N4O5
Net Charge0
Average Mass408.414
Monoisotopic Mass408.14337
SMILESCN1C(=O)[C@](O)(Cc2ccccc2)NC(=O)[C@@H]1Cc1cnc2cccc([N+](=O)[O-])c12
InChIInChI=1S/C21H20N4O5/c1-24-17(10-14-12-22-15-8-5-9-16(18(14)15)25(29)30)19(26)23-21(28,20(24)27)11-13-6-3-2-4-7-13/h2-9,12,17,22,28H,10-11H2,1H3,(H,23,26)/t17-,21+/m0/s1
InChIKeyCRDXCBHAFGPWRN-LAUBAEHRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces scabiei (ncbitaxon:1930) - DOI (10.1021/jf00044a042)
ChEBI Ontology
Outgoing Relation(s)
12-N-methyl-14-hydroxycyclo-(L-4-nitrotryptophyl-L-phenylalanyl) (CHEBI:212540) has functional parent α-amino acid (CHEBI:33704)
12-N-methyl-14-hydroxycyclo-(L-4-nitrotryptophyl-L-phenylalanyl) (CHEBI:212540) is a organonitrogen compound (CHEBI:35352)
12-N-methyl-14-hydroxycyclo-(L-4-nitrotryptophyl-L-phenylalanyl) (CHEBI:212540) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,6S)-3-benzyl-3-hydroxy-1-methyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
Manual XrefsDatabases
31144049ChemSpider