(Q82900895)

English

3,6-Dibenzyl-1,4,7,10-tetrahydroxy-4-oxo-1-phenyl-9,12-di(propan-2-yl)-2,8,11-triaza-4lambda~5~-phosphatrideca-1,7,10-trien-13-imidic acid

group of stereoisomers with the chemical formula C₃₅H₄₅N₄O₆P

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

648.30767179 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₅N₄O₆P

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based on heuristic

inferred from SMILES

canonical SMILES

CC(C)C(N=C(O)C(N=C(O)C(Cc1ccccc1)CP(=O)(O)C(Cc1ccccc1)N=C(O)c1ccccc1)C(C)C)C(=N)O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(Cc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)c1ccccc1)C(C)C)C(N)=O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C35H45N4O6P/c1-23(2)30(32(36)40)38-35(43)31(24(3)4)39-34(42)28(20-25-14-8-5-9-15-25)22-46(44,45)29(21-26-16-10-6-11-17-26)37-33(41)27-18-12-7-13-19-27/h5-19,23-24,28-31H,20-22H2,1-4H3,(H2,36,40)(H,37,41)(H,38,43)(H,39,42)(H,44,45)/t28?,29?,30-,31-/m0/s1

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InChIKey

LIENTGAUXNCIDX-NPYONTDKSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID901355194

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(Q82900895)

3,6-Dibenzyl-1,4,7,10-tetrahydroxy-4-oxo-1-phenyl-9,12-di(propan-2-yl)-2,8,11-triaza-4lambda~5~-phosphatrideca-1,7,10-trien-13-imidic acid

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