(Q82907971)

English

N-[1-({1-[2-(Amino)-6-benzyl-3-methylphenoxy]-3-methyl-1-oxobutan-2-yl}imino)-1-hydroxy-3-methylbutan-2-yl]-3-hydroxyhexanimidic acid

group of stereoisomers with the chemical formula C₃₆H₅₃N₅O₇

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

667.394499036 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₃N₅O₇

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based on heuristic

inferred from SMILES

canonical SMILES

CCCC(O)CC(O)=NC(C(O)=NC(C(=O)Oc1c(Cc2ccccc2)ccc(C)c1N(C(=O)C(C)N)C(=O)C(C)N)C(C)C)C(C)C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCC(O)CC(=O)N[C@H](C(=O)N[C@H](C(=O)Oc1c(Cc2ccccc2)ccc(C)c1N(C(=O)[C@H](C)N)C(=O)[C@H](C)N)C(C)C)C(C)C

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C36H53N5O7/c1-9-13-27(42)19-28(43)39-29(20(2)3)33(44)40-30(21(4)5)36(47)48-32-26(18-25-14-11-10-12-15-25)17-16-22(6)31(32)41(34(45)23(7)37)35(46)24(8)38/h10-12,14-17,20-21,23-24,27,29-30,42H,9,13,18-19,37-38H2,1-8H3,(H,39,43)(H,40,44)/t23-,24-,27?,29-,30-/m0/s1

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InChIKey

JKNPUMLCTBXCRQ-RPXVPVHRSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID501360979

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(Q82907971)

N-[1-({1-[2-(Amino)-6-benzyl-3-methylphenoxy]-3-methyl-1-oxobutan-2-yl}imino)-1-hydroxy-3-methylbutan-2-yl]-3-hydroxyhexanimidic acid

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