(Q105292456)

English

Carbamic acid (4E,10E)-(8S,9S,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-aza-bicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl ester

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(13-Hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18(22),19-pentaen-9-yl) carbamate

1 reference

based on heuristic

inferred from SMILES

mass

502.304287064 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₂N₂O₆

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canonical SMILES

COC1CCC=C(C)C(=O)Nc2cccc(c2)CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O

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isomeric SMILES

CO[C@H]1C[C@H](C)Cc2cccc(c2)NC(=O)/C(C)=C/CC[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@H]1O

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found in taxon

Streptomyces hygroscopicus

2 references

stated in

Potent non-benzoquinone ansamycin heat shock protein 90 inhibitors from genetic engineering of Streptomyces hygroscopicus

stated in

Potent non-benzoquinone ansamycin heat shock protein 90 inhibitors from genetic engineering of Streptomyces hygroscopicus

Identifiers

InChI

InChI=1S/C28H42N2O6/c1-17-13-21-10-8-11-22(16-21)30-27(32)18(2)9-7-12-23(34-5)26(36-28(29)33)20(4)15-19(3)25(31)24(14-17)35-6/h8-11,15-17,19,23-26,31H,7,12-14H2,1-6H3,(H2,29,33)(H,30,32)/b18-9+,20-15+/t17-,19+,23+,24+,25-,26+/m1/s1

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InChIKey

VSRDDIXOACNXNB-DULVUOHVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VSRDDIXOACNXNB-DULVUOHVSA-N

1 reference

(Q105292456)

Carbamic acid (4E,10E)-(8S,9S,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-aza-bicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl ester

Statements

Identifiers

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