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(Q83014442)
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WF 10129
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-[[1-[[1-Carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxopropan-2-yl]amino]-7-hydroxy-4-oxooctanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
424.184565856
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Unk-D-Ala-D-Tyr-OH
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₈N₂O₈
0 references
canonical SMILES
CC(O)CCC(=O)CC(NC(C)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(=O)O
0 references
isomeric SMILES
C[C@@H](CCC(=O)C[C@@H](C(=O)O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)O
0 references
found in taxon
Parascedosporium putredinis
3 references
stated in
WF-10129, a novel angiotensin converting enzyme inhibitor produced by a fungus, Doratomyces putredinis
stated in
WF-10129, a novel angiotensin converting enzyme inhibitor produced by a fungus, Doratomyces putredinis
stated in
WF-10129, a novel angiotensin converting enzyme inhibitor produced by a fungus, Doratomyces putredinis
Identifiers
InChI
InChI=1S/C20H28N2O8/c1-11(23)3-6-15(25)10-17(20(29)30)21-12(2)18(26)22-16(19(27)28)9-13-4-7-14(24)8-5-13/h4-5,7-8,11-12,16-17,21,23-24H,3,6,9-10H2,1-2H3,(H,22,26)(H,27,28)(H,29,30)/t11-,12-,16-,17-/m0/s1
0 references
InChIKey
VOFCPUVKMIAYMR-SYWGBEHUSA-N
0 references
CAS Registry Number
109075-64-1
0 references
PubChem CID
3080984
1 reference
matched by identifier from
InChIKey
InChIKey
VOFCPUVKMIAYMR-SYWGBEHUSA-N
ChEBI ID
222306
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H28N2O8/c1-11(23)3-6-15(25)10-17(20(29)30)21-12(2)18(26)22-16(19(27)28)9-13-4-7-14(24)8-5-13/h4-5,7-8,11-12,16-17,21,23-24H,3,6,9-10H2,1-2H3,(H,22,26)(H,27,28)(H,29,30)/t11-,12-,16-,17-/m0/s1
UniChem compound ID
33300328
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60148811
1 reference
matched by identifier from
InChIKey
InChIKey
VOFCPUVKMIAYMR-SYWGBEHUSA-N
DSSTOX compound identifier
DTXCID8071302
0 references
Natural Product Atlas ID
NPA020822
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VOFCPUVKMIAYMR-SYWGBEHUSA-N
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