CHEBI:206278 - (3S,6S)-3-[[4-[(2S)-2-hydroxy-3-methoxy-3-methylbutoxy]phenyl]methyl]-1,4-dimethyl-3,6-bis(methylsulanyl)piperazine-2,5-dione

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ChEBI Name (3S,6S)-3-[[4-[(2S)-2-hydroxy-3-methoxy-3-methylbutoxy]phenyl]methyl]-1,4-dimethyl-3,6-bis(methylsulanyl)piperazine-2,5-dione
ChEBI ID CHEBI:206278
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
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Formula C21H32N2O5S2
Net Charge 0
Average Mass 456.620
Monoisotopic Mass 456.17526
InChI InChI=1S/C21H32N2O5S2/c1-20(2,27-5)16(24)13-28-15-10-8-14(9-11-15)12-21(30-7)19(26)22(3)18(29-6)17(25)23(21)4/h8-11,16,18,24H,12-13H2,1-7H3/t16-,18-,21-/m0/s1
InChIKey WARDWSVNJGMQQK-MDKPJZGXSA-N
SMILES S([C@@]1(N(C(=O)[C@H](SC)N(C1=O)C)C)CC2=CC=C(OC[C@H](O)C(OC)(C)C)C=C2)C
Metabolite of Species Details
Penicillium crustosum (NCBI:txid36656) See: PubMed
ChEBI Ontology
Outgoing (3S,6S)-3-[[4-[(2S)-2-hydroxy-3-methoxy-3-methylbutoxy]phenyl]methyl]-1,4-dimethyl-3,6-bis(methylsulanyl)piperazine-2,5-dione (CHEBI:206278) has functional parent α-amino acid (CHEBI:33704)
(3S,6S)-3-[[4-[(2S)-2-hydroxy-3-methoxy-3-methylbutoxy]phenyl]methyl]-1,4-dimethyl-3,6-bis(methylsulanyl)piperazine-2,5-dione (CHEBI:206278) is a organonitrogen compound (CHEBI:35352)
(3S,6S)-3-[[4-[(2S)-2-hydroxy-3-methoxy-3-methylbutoxy]phenyl]methyl]-1,4-dimethyl-3,6-bis(methylsulanyl)piperazine-2,5-dione (CHEBI:206278) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,6S)-3-[[4-[(2S)-2-hydroxy-3-methoxy-3-methylbutoxy]phenyl]methyl]-1,4-dimethyl-3,6-bis(methylsulanyl)piperazine-2,5-dione