(Q105121949)

English

[(4E,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-21-[(1S,4R)-4-hydroxy-1-methoxy-2-oxopentyl]-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18-tetraen-9-yl] carbamate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

692.352025104 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

19-[(1'S,4'R)-4'-hydroxy-1'-methoxy-2'-oxopentyl]-4,5-dihydrogeldanamycin

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₅H₅₂N₂O₁₂

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canonical SMILES

COC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)CCC=C(C)C(=O)NC(=C(C(OC)C(=O)CC(C)O)C1=O)C2=O

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isomeric SMILES

COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)CC/C=C(\C)C(=O)NC(=C([C@H](OC)C(=O)C[C@@H](C)O)C1=O)C2=O

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found in taxon

Streptomyces hygroscopicus

1 reference

stated in

19-[(1'S,4'R)-4'-Hydroxy-1'-methoxy-2'-oxopentyl]geldanamycin, a natural geldanamycin analogue from Streptomyces hygroscopicus 17997.

Identifiers

InChI

InChI=1S/C35H52N2O12/c1-17-13-22-29(41)27(26(30(42)32(22)47-8)33(48-9)23(39)16-21(5)38)37-34(43)18(2)11-10-12-24(45-6)31(49-35(36)44)20(4)15-19(3)28(40)25(14-17)46-7/h11,15,17,19,21,24-25,28,31,33,38,40H,10,12-14,16H2,1-9H3,(H2,36,44)(H,37,43)/b18-11+,20-15+/t17-,19+,21-,24+,25+,28-,31+,33-/m1/s1

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InChIKey

IWXKDLKUMGGABM-LTNRGABZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IWXKDLKUMGGABM-LTNRGABZSA-N

1 reference

(Q105121949)

[(4E,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-21-[(1S,4R)-4-hydroxy-1-methoxy-2-oxopentyl]-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18-tetraen-9-yl] carbamate

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