(Q82599092)

English

Benzyl N-[3-(2-methyl-1,3-dioxolan-2-yl)propanoyl]-N-({2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl}methyl)-L-valinate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

825.3890197320002 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₅₂H₅₁N₅O₅

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canonical SMILES

CC(C)C(C(=O)OCc1ccccc1)N(Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C(=O)CCC1(C)OCCO1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)N(CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)CCC8(OCCO8)C

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Identifiers

InChI

InChI=1S/C52H51N5O5/c1-38(2)48(50(59)60-37-40-18-8-4-9-19-40)56(47(58)32-33-51(3)61-34-35-62-51)36-39-28-30-41(31-29-39)45-26-16-17-27-46(45)49-53-54-55-57(49)52(42-20-10-5-11-21-42,43-22-12-6-13-23-43)44-24-14-7-15-25-44/h4-31,38,48H,32-37H2,1-3H3/t48-/m0/s1

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InChIKey

DBPSJQCVQPEQEN-DYVQZXGMSA-N

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matched by identifier from

InChIKey

DBPSJQCVQPEQEN-DYVQZXGMSA-N

1 reference

1 reference

matched by identifier from

InChIKey

DBPSJQCVQPEQEN-DYVQZXGMSA-N

DSSTOX compound identifier

DTXCID50626936

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(Q82599092)

Benzyl N-[3-(2-methyl-1,3-dioxolan-2-yl)propanoyl]-N-({2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl}methyl)-L-valinate

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