(Q82881706)

English

2-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propyl]tetrahydropyran-2-yl]sulfanylethyl 2-hydroxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

N-[2-methoxy-1-(3,4,5-trihydroxy-6-{[2-(2-hydroxybenzoyloxy)ethyl]sulfanyl}oxan-2-yl)propyl]-1-methylpyrrolidine-2-carboximidic acid

1 reference

based on heuristic

inferred from SMILES

mass

528.214151732 dalton

1 reference

1 reference

C₂₄H₃₆N₂O₉S

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canonical SMILES

COC(C)C(NC(=O)C1CCCN1C)C1OC(SCCOC(=O)c2ccccc2O)C(O)C(O)C1O

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isomeric SMILES

C[C@H]([C@H]([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)SCCOC(=O)C2=CC=CC=C2O)O)O)O)NC(=O)[C@@H]3CCCN3C)OC

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found in taxon

Streptomyces caelestis

2 references

stated in

Isolation, purification and partial characterization of antibacterial activities produced by a newly isolated Streptomyces sp. US24 strain

stated in

Studies with Streptomyces caelestis. I. New celesticetins

Identifiers

InChI

InChI=1S/C24H36N2O9S/c1-13(33-3)17(25-22(31)15-8-6-10-26(15)2)21-19(29)18(28)20(30)24(35-21)36-12-11-34-23(32)14-7-4-5-9-16(14)27/h4-5,7,9,13,15,17-21,24,27-30H,6,8,10-12H2,1-3H3,(H,25,31)/t13-,15+,17-,18-,19-,20+,21+,24+/m1/s1

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InChIKey

VMSQKUCYEMOKMM-HUQJOJSCSA-N

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1 reference

matched by identifier from

InChIKey

VMSQKUCYEMOKMM-HUQJOJSCSA-N

1 reference

1 reference

matched by identifier from

InChIKey

VMSQKUCYEMOKMM-HUQJOJSCSA-N

DSSTOX compound identifier

DTXCID701340597

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(Q82881706)

2-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propyl]tetrahydropyran-2-yl]sulfanylethyl 2-hydroxybenzoate

Statements

Identifiers

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