(Q105298034)

English

(2S,3S)-2,3-dihydroxy-3-[(2S,3S,5S)-2-hydroxy-2,3-dimethyl-7-oxo-1,4-oxazepan-5-yl]-N-[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]propanamide

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2,3-dihydroxy-3-(2-hydroxy-2,3-dimethyl-7-oxo-1,4-oxazepan-5-yl)-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]propanamide

1 reference

based on heuristic

inferred from SMILES

mass

494.226430668 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₄N₂O₉

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canonical SMILES

CC(C)CC(NC(=O)C(O)C(O)C1CC(=O)OC(C)(O)C(C)N1)C1Cc2cccc(O)c2C(=O)O1

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isomeric SMILES

CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](O)[C@@H]1CC(=O)O[C@](C)(O)[C@H](C)N1)[C@@H]1Cc2cccc(O)c2C(=O)O1

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found in taxon

Alternaria alternata

1 reference

stated in

Sg17-1-4, a novel isocoumarin from a marine fungus Alternaria tenuis Sg17-1.

Alternaria tenuis

1 reference

stated in

Sg17-1-4, a novel isocoumarin from a marine fungus Alternaria tenuis Sg17-1.

Identifiers

InChI

InChI=1S/C24H34N2O9/c1-11(2)8-14(17-9-13-6-5-7-16(27)19(13)23(32)34-17)26-22(31)21(30)20(29)15-10-18(28)35-24(4,33)12(3)25-15/h5-7,11-12,14-15,17,20-21,25,27,29-30,33H,8-10H2,1-4H3,(H,26,31)/t12-,14-,15-,17-,20-,21-,24-/m0/s1

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InChIKey

VWEGLEKHUIRPCH-SHJDBJNPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VWEGLEKHUIRPCH-SHJDBJNPSA-N

(Q105298034)

(2S,3S)-2,3-dihydroxy-3-[(2S,3S,5S)-2-hydroxy-2,3-dimethyl-7-oxo-1,4-oxazepan-5-yl]-N-[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]propanamide

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Identifiers

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