(Q82598883)

English

N-[4-({[2-Amino-5-(~2~H_3_)methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid

group of stereoisomers with the chemical formula C₂₀H₂₅N₇O₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

462.2054617579999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₅N₇O₆

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based on heuristic

inferred from SMILES

canonical SMILES

[2H]C([2H])([2H])N1c2c(O)nc(=N)[nH]c2NCC1CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

[2H]C([2H])([2H])N1c2c(O)nc(=N)[nH]c2NCC1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12?,13-/m0/s1/i1D3

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InChIKey

ZNOVTXRBGFNYRX-WILDCZHSSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID70626791

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(Q82598883)

N-[4-({[2-Amino-5-(~2~H_3_)methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid

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