(Q83070042)

English

4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-methyl-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-

group of stereoisomers with the chemical formula C₁₄H₂₀N₂O₅S

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

328.10929273999994 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₄H₂₀N₂O₅S

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based on heuristic

inferred from SMILES

canonical SMILES

CC1CCC(C(O)=NC2C(=O)N3C2SC(C)(C)C3C(=O)O)O1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1CCC(C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)O1

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C14H20N2O5S/c1-6-4-5-7(21-6)10(17)15-8-11(18)16-9(13(19)20)14(2,3)22-12(8)16/h6-9,12H,4-5H2,1-3H3,(H,15,17)(H,19,20)/t6?,7?,8-,9+,12-/m1/s1

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InChIKey

BDIYHJQDINQRFV-WYNVUNRPSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID00119560

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(Q83070042)

4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((tetrahydro-5-methyl-2-furanyl)carbonyl)amino)-, (2S-(2-alpha,5-alpha,6-beta))-

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