(Q105237331)

English

(3E,5S,7S,8S,10S,11R,12S,13S,15R,16R,17R,19Z,26R)-21,28,29-trihydroxy-11-[(1S)-1-methoxyethyl]-10-methyl-14-oxa-22,27-diazahexacyclo[24.2.1.0⁵,¹⁷.0⁷,¹².0⁸,¹⁶.0¹³,¹⁵]nonacosa-1(29),3,19,21,27-pentaen-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

21,28,29-trihydroxy-11-(1-methoxyethyl)-10-methyl-14-oxa-22,27-diazahexacyclo[24.2.1.0⁵,¹⁷.0⁷,¹².0⁸,¹⁶.0¹³,¹⁵]nonacosa-1(29),3,19,21,27-pentaen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

524.288637 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₀N₂O₆

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canonical SMILES

COC(C)C1C(C)CC2C3CC4C=CC(=O)C5=C(O)C(CCCNC(=O)C=CCC4C2C2OC2C31)NC5=O

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isomeric SMILES

CO[C@@H](C)[C@H]1[C@@H]2[C@H]3C[C@H]4/C=C/C(=O)C5=C(O)[C@@H](CCCNC(=O)/C=C\C[C@H]4[C@H]([C@H]3C[C@@H]1C)[C@H]1O[C@H]12)NC5=O

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found in taxon

Streptomyces

1 reference

stated in

Ripromycin and Other Polycyclic Macrolactams from Streptomyces sp. Tue 6239: Taxonomy, Fermentation, Isolation and Biological Properties

Identifiers

InChI

InChI=1S/C30H40N2O6/c1-14-12-18-19-13-16-9-10-21(33)26-27(35)20(32-30(26)36)7-5-11-31-22(34)8-4-6-17(16)24(18)28-29(38-28)25(19)23(14)15(2)37-3/h4,8-10,14-20,23-25,28-29,35H,5-7,11-13H2,1-3H3,(H,31,34)(H,32,36)/b8-4-,10-9+/t14-,15-,16+,17+,18-,19-,20+,23-,24+,25-,28+,29-/m0/s1

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InChIKey

RJANYZUAZKPQSD-QTIMVFAQSA-N

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(Q105237331)

(3E,5S,7S,8S,10S,11R,12S,13S,15R,16R,17R,19Z,26R)-21,28,29-trihydroxy-11-[(1S)-1-methoxyethyl]-10-methyl-14-oxa-22,27-diazahexacyclo[24.2.1.0⁵,¹⁷.0⁷,¹².0⁸,¹⁶.0¹³,¹⁵]nonacosa-1(29),3,19,21,27-pentaen-2-one

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