(Q105162002)

English

(2E,4E,6E)-N-[(1S)-3-[[(2S)-1-[(3S,4S)-3-hydroxy-4-methyl-2,5-dioxopyrrolidin-3-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-oxo-1-phenylpropyl]octa-2,4,6-trienamide

chemical compound

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instance of

type of chemical entity

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subclass of

N-[3-[[1-(3-hydroxy-4-methyl-2,5-dioxopyrrolidin-3-yl)-3-methyl-1-oxobutan-2-yl]amino]-3-oxo-1-phenylpropyl]octa-2,4,6-trienamide

1 reference

based on heuristic

inferred from SMILES

mass

495.236935776 dalton

1 reference

1 reference

C₂₇H₃₃N₃O₆

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canonical SMILES

CC=CC=CC=CC(=O)NC(CC(=O)NC(C(=O)C1(O)C(=O)NC(=O)C1C)C(C)C)c1ccccc1

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isomeric SMILES

C/C=C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@H](C(=O)[C@]1(O)C(=O)NC(=O)[C@H]1C)C(C)C)c1ccccc1

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found in taxon

Pseudomonas fluorescens

1 reference

stated in

Andrimid and moiramides A-C, metabolites produced in culture by a marine isolate of the bacterium Pseudomonas fluorescens: structure elucidation and biosynthesis

Identifiers

InChI

InChI=1S/C27H33N3O6/c1-5-6-7-8-12-15-21(31)28-20(19-13-10-9-11-14-19)16-22(32)29-23(17(2)3)24(33)27(36)18(4)25(34)30-26(27)35/h5-15,17-18,20,23,36H,16H2,1-4H3,(H,28,31)(H,29,32)(H,30,34,35)/b6-5+,8-7+,15-12+/t18-,20+,23+,27+/m1/s1

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InChIKey

MDWPTHONDMTCBU-ZUDAILPZSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105162002)

(2E,4E,6E)-N-[(1S)-3-[[(2S)-1-[(3S,4S)-3-hydroxy-4-methyl-2,5-dioxopyrrolidin-3-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-oxo-1-phenylpropyl]octa-2,4,6-trienamide

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