(Q105022449)

English

methyl (2R,3S,4R)-6,8-dimethoxy-2-(4-methoxyphenyl)-4-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]pyrrolidine-1-carbonyl]-5-oxo-3-phenyl-3,4-dihydro-1-benzoxepine-2-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 6,8-dimethoxy-2-(4-methoxyphenyl)-4-[2-(2-methylbutanoylamino)pyrrolidine-1-carbonyl]-5-oxo-3-phenyl-3,4-dihydro-1-benzoxepine-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

658.289030924 dalton

1 reference

1 reference

1 reference

C₃₇H₄₂N₂O₉

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canonical SMILES

CCC(C)C(=O)NC1CCCN1C(=O)C1C(=O)c2c(OC)cc(OC)cc2OC(C(=O)OC)(c2ccc(OC)cc2)C1c1ccccc1

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isomeric SMILES

CC[C@@H](C)C(=O)N[C@@H]1CCCN1C(=O)[C@H]1C(=O)c2c(OC)cc(OC)cc2O[C@@](C(=O)OC)(c2ccc(OC)cc2)[C@@H]1c1ccccc1

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found in taxon

Aglaia forbesii

1 reference

stated in

New nitrogenous and aromatic derivatives from Aglaia argentea and A. forbesii

Identifiers

InChI

InChI=1S/C37H42N2O9/c1-7-22(2)34(41)38-29-14-11-19-39(29)35(42)31-32(23-12-9-8-10-13-23)37(36(43)47-6,24-15-17-25(44-3)18-16-24)48-28-21-26(45-4)20-27(46-5)30(28)33(31)40/h8-10,12-13,15-18,20-22,29,31-32H,7,11,14,19H2,1-6H3,(H,38,41)/t22-,29+,31-,32-,37+/m1/s1

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InChIKey

GWJSQMGBQCXDSY-JSXMAETQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GWJSQMGBQCXDSY-JSXMAETQSA-N

(Q105022449)

methyl (2R,3S,4R)-6,8-dimethoxy-2-(4-methoxyphenyl)-4-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]pyrrolidine-1-carbonyl]-5-oxo-3-phenyl-3,4-dihydro-1-benzoxepine-2-carboxylate

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Identifiers

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