(Q82890394)

English

alpha-Glutamyl-N-[7-(hexadecyloxy)-4-hydroxy-4-oxo-3,5,9-trioxa-4lambda~5~-phosphapentacosan-1-yl]-5-hydroxy-5-iminonorvaline

group of stereoisomers with the chemical formula C₄₇H₉₂N₃O₁₂P

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

921.6418620139999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₇H₉₂N₃O₁₂P

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCN(C(=O)C(N)CCC(=O)O)C(CCC(=N)O)C(=O)O)OCCCCCCCCCCCCCCCC

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCN(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CCC(N)=O)C(=O)O)OCCCCCCCCCCCCCCCC

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C47H92N3O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36-59-39-41(60-37-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)40-62-63(57,58)61-38-35-50(43(47(55)56)32-33-44(49)51)46(54)42(48)31-34-45(52)53/h41-43H,3-40,48H2,1-2H3,(H2,49,51)(H,52,53)(H,55,56)(H,57,58)/t41?,42-,43-/m0/s1

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InChIKey

YCRUTPMIZSETGD-ZLTWWWLTSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID401347299

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(Q82890394)

alpha-Glutamyl-N-[7-(hexadecyloxy)-4-hydroxy-4-oxo-3,5,9-trioxa-4lambda~5~-phosphapentacosan-1-yl]-5-hydroxy-5-iminonorvaline

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