(Q82884271)

English

N-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)-N-(2-{[(2,3-dihydroxypropoxy)(hydroxy)phosphoryl]oxy}ethyl)-5-hydroxy-5-iminonorvaline

group of stereoisomers with the chemical formula C₂₅H₃₄N₉O₁₀P

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

651.216624918 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₄N₉O₁₀P

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based on heuristic

inferred from SMILES

canonical SMILES

CN(Cc1cnc2nc(=N)[nH]c(N)c2n1)c1ccc(C(=O)N(CCOP(=O)(O)OCC(O)CO)C(CCC(=N)O)C(=O)O)cc1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CN(Cc1cnc2nc(=N)[nH]c(N)c2n1)c1ccc(C(=O)N(CCOP(=O)(O)OCC(O)CO)[C@@H](CCC(N)=O)C(=O)O)cc1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C25H34N9O10P/c1-33(11-15-10-29-22-20(30-15)21(27)31-25(28)32-22)16-4-2-14(3-5-16)23(38)34(18(24(39)40)6-7-19(26)37)8-9-43-45(41,42)44-13-17(36)12-35/h2-5,10,17-18,35-36H,6-9,11-13H2,1H3,(H2,26,37)(H,39,40)(H,41,42)(H4,27,28,29,31,32)/t17?,18-/m0/s1

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InChIKey

ZYJIOTRBRDVLST-ZVAWYAOSSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID001342623

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(Q82884271)

N-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)-N-(2-{[(2,3-dihydroxypropoxy)(hydroxy)phosphoryl]oxy}ethyl)-5-hydroxy-5-iminonorvaline

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