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(Q76150615)
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English
(2S)-2-[[4-[(2,4-diaminopteridin-7-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
454.1713158039999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Glutamic acid, N-(p-(((2,4-diamino-7-pteridinyl)methyl)methylamino)benzoyl)-, D-
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₂N₈O₅
0 references
canonical SMILES
CN(Cc1cnc2c(N)nc(N)nc2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN(CC1=CN=C2C(=NC(=NC2=N1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
0 references
Identifiers
InChI
InChI=1S/C20H22N8O5/c1-28(9-11-8-23-15-16(21)26-20(22)27-17(15)24-11)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,24,26,27)/t13-/m0/s1
0 references
InChIKey
UUVPYTIBUIBXTJ-ZDUSSCGKSA-N
0 references
CAS Registry Number
52980-66-2
0 references
PubChem CID
3040815
1 reference
matched by identifier from
InChIKey
InChIKey
UUVPYTIBUIBXTJ-ZDUSSCGKSA-N
UniChem compound ID
49173656
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00967447
1 reference
matched by identifier from
InChIKey
InChIKey
UUVPYTIBUIBXTJ-ZDUSSCGKSA-N
DSSTOX compound identifier
DTXCID701395047
0 references
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