(Q82904348)

English

6-Cyclohexyl-4-hydroxy-5-{[1-hydroxy-2-({1-hydroxy-2-[(naphthalen-1-yl)oxy]ethylidene}amino)-3-(1H-imidazol-5-yl)propylidene]amino}-N-(1-hydroxy-3-methyl-1-{[(pyridin-2-yl)methyl]imino}pentan-2-yl)-2- (propan-2-yl)hexanimidic acid

group of stereoisomers with the chemical formula C₄₅H₆₁N₇O₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

795.468332672 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₅H₆₁N₇O₆

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based on heuristic

inferred from SMILES

canonical SMILES

CCC(C)C(N=C(O)C(CC(O)C(CC1CCCCC1)N=C(O)C(Cc1cnc[nH]1)N=C(O)COc1cccc2ccccc12)C(C)C)C(O)=NCc1ccccn1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC[C@H](C)C(NC(=O)[C@@H](C[C@H](O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)NCc1ccccn1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C45H61N7O6/c1-5-30(4)42(45(57)48-26-33-18-11-12-21-47-33)52-43(55)36(29(2)3)24-39(53)37(22-31-14-7-6-8-15-31)51-44(56)38(23-34-25-46-28-49-34)50-41(54)27-58-40-20-13-17-32-16-9-10-19-35(32)40/h9-13,16-21,25,28-31,36-39,42,53H,5-8,14-15,22-24,26-27H2,1-4H3,(H,46,49)(H,48,57)(H,50,54)(H,51,56)(H,52,55)/t30-,36-,37?,38-,39-,42?/m0/s1

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InChIKey

VIIORGGCTLITHW-YBHXHPRFSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID701358180

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(Q82904348)

6-Cyclohexyl-4-hydroxy-5-{[1-hydroxy-2-({1-hydroxy-2-[(naphthalen-1-yl)oxy]ethylidene}amino)-3-(1H-imidazol-5-yl)propylidene]amino}-N-(1-hydroxy-3-methyl-1-{[(pyridin-2-yl)methyl]imino}pentan-2-yl)-2- (propan-2-yl)hexanimidic acid

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