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(Q72461227)
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English
Cyclo(L-tryptophanyl-L-tryptophanyl)
chemical compound
Cyclo(-Trp-Trp)
(3S,6S)-3,6-Bis(indol-3-ylmethyl)-2,5-piperazinedione
Cyclo-(L-Trp-L-Trp)
In more languages
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic cyclopeptide
0 references
biogenic 2,5-diketopiperazine
0 references
chaetocin-like alkaloid
0 references
mass
372.15862588
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₀N₄O₂
0 references
canonical SMILES
O=C1NC(Cc2c[nH]c3ccccc23)C(=O)NC1Cc1c[nH]c2ccccc12
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isomeric SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@H]3C(=O)N[C@H](C(=O)N3)CC4=CNC5=CC=CC=C54
0 references
found in taxon
Penicillium simplicissimum
1 reference
stated in
New Okaramine Congeners, Okamines J, K, L, M and Related Compounds, fromPenicillium simplicissimumATCC 90288
Penicillium dierckxii
1 reference
stated in
New diketopiperazine alkaloids from Penicillium fellutanum
Identifiers
InChI
InChI=1S/C22H20N4O2/c27-21-19(9-13-11-23-17-7-3-1-5-15(13)17)25-22(28)20(26-21)10-14-12-24-18-8-4-2-6-16(14)18/h1-8,11-12,19-20,23-24H,9-10H2,(H,25,28)(H,26,27)/t19-,20-/m0/s1
0 references
InChIKey
DNHODRZUCGXYKU-PMACEKPBSA-N
2 references
stated in
PubChem
PubChem CID
7091706
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
7091706
language of work or name
English
CAS Registry Number
20829-55-4
1 reference
InChIKey
DNHODRZUCGXYKU-PMACEKPBSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=20829-55-4
PubChem CID
7091706
2 references
stated in
PubChem
PubChem CID
7091706
language of work or name
English
matched by identifier from
InChIKey
InChIKey
DNHODRZUCGXYKU-PMACEKPBSA-N
ChEBI ID
199867
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H20N4O2/c27-21-19(9-13-11-23-17-7-3-1-5-15(13)17)25-22(28)20(26-21)10-14-12-24-18-8-4-2-6-16(14)18/h1-8,11-12,19-20,23-24H,9-10H2,(H,25,28)(H,26,27)/t19-,20-/m0/s1
UniChem compound ID
380429
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10427749
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
DNHODRZUCGXYKU-PMACEKPBSA-N
DSSTOX compound identifier
DTXCID90378583
0 references
Natural Product Atlas ID
NPA002698
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DNHODRZUCGXYKU-PMACEKPBSA-N
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