(Q82694634)

English

2,2'-[(1S)-5,10-Dioxo-2-phenyl-2,3,5,10-tetrahydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazine-1,3-diyl]bis{N-[(1S)-1-phenylethyl]benzamide}

group of stereoisomers with the chemical formula C₄₆H₃₉N₄O₄P

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

742.270892358 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₆H₃₉N₄O₄P

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based on heuristic

inferred from SMILES

canonical SMILES

CC(N=C(O)c1ccccc1C1n2c(=O)c3ccccc3c(=O)n2C(c2ccccc2C(O)=NC(C)c2ccccc2)P1c1ccccc1)c1ccccc1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H](NC(=O)c1ccccc1C1n2c(=O)c3ccccc3c(=O)n2[C@H](c2ccccc2C(=O)N[C@@H](C)c2ccccc2)P1c1ccccc1)c1ccccc1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C46H39N4O4P/c1-30(32-18-6-3-7-19-32)47-41(51)35-24-12-16-28-39(35)45-49-43(53)37-26-14-15-27-38(37)44(54)50(49)46(55(45)34-22-10-5-11-23-34)40-29-17-13-25-36(40)42(52)48-31(2)33-20-8-4-9-21-33/h3-31,45-46H,1-2H3,(H,47,51)(H,48,52)/t30-,31-,45-,46?,55?/m0/s1

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InChIKey

XLHCPIVFAWUOET-OQGDIVOVSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID30696950

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(Q82694634)

2,2'-[(1S)-5,10-Dioxo-2-phenyl-2,3,5,10-tetrahydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazine-1,3-diyl]bis{N-[(1S)-1-phenylethyl]benzamide}

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