(Q83119097)

English

Glutamic acid, N-(p-(1-(2,4-diaminopyrido(3,2-d)pyrimidin-6-ylmethyl)propyl)benzoyl)-, hydrate

group of stereoisomers with the chemical formula C₂₃H₂₈N₆O₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

484.2070326159998 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₈N₆O₆

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based on heuristic

inferred from SMILES

canonical SMILES

CCC(Cc1ccc2[nH]c(=N)[nH]c(=N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1.O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCC(Cc1ccc2[nH]c(=N)[nH]c(=N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1.O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C23H26N6O5.H2O/c1-2-12(11-15-7-8-16-19(26-15)20(24)29-23(25)28-16)13-3-5-14(6-4-13)21(32)27-17(22(33)34)9-10-18(30)31;/h3-8,12,17H,2,9-11H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,24,25,28,29);1H2/t12?,17-;/m0./s1

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InChIKey

CHXHSHPFFOUELL-YYEGJJRBSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID80159505

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(Q83119097)

Glutamic acid, N-(p-(1-(2,4-diaminopyrido(3,2-d)pyrimidin-6-ylmethyl)propyl)benzoyl)-, hydrate

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