(Q105244208)

English

2-[methyl-[2-[(R)-[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]benzimidazole-1-carbonyl]amino]ethyl 1-methylpiperidine-4-carboxylate

chemical compound

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instance of

type of chemical entity

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595.207624784 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₂F₃N₅O₅S

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canonical SMILES

O=C(OCCN(C(=O)N1C(=NC=2C=CC=CC21)[S+]([O-])CC3=NC=CC(OCC(F)(F)F)=C3C)C)C4CCN(C)CC4

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isomeric SMILES

Cc1c(OCC(F)(F)F)ccnc1C[S@@+]([O-])c1nc2ccccc2n1C(=O)N(C)CCOC(=O)C1CCN(C)CC1

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found in taxon

Areca catechu

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stated in

Volatile alkaloids from Areca catechu

Identifiers

InChI

InChI=1S/C27H32F3N5O5S/c1-18-21(31-11-8-23(18)40-17-27(28,29)30)16-41(38)25-32-20-6-4-5-7-22(20)35(25)26(37)34(3)14-15-39-24(36)19-9-12-33(2)13-10-19/h4-8,11,19H,9-10,12-17H2,1-3H3/t41-/m1/s1

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InChIKey

RRKXWMODKLBAGM-VQJSHJPSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RRKXWMODKLBAGM-VQJSHJPSSA-N

1 reference

(Q105244208)

2-[methyl-[2-[(R)-[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]benzimidazole-1-carbonyl]amino]ethyl 1-methylpiperidine-4-carboxylate

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Identifiers

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