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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 12-N-methyl-14-hydroxycyclo-(L-4-nitrotryptophyl-L-phenylalanyl)
ChEBI ID CHEBI:212540
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C21H20N4O5
Net Charge 0
Average Mass 408.414
Monoisotopic Mass 408.14337
InChI InChI=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
InChIKey CRDXCBHAFGPWRN-LAUBAEHRSA-N
SMILES O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)[C@](O)(CC4=CC=CC=C4)NC3=O)C)=CC=C1
Metabolite of Species Details
Streptomyces scabiei (NCBI:txid1930) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
31144049 ChemSpider
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