(Q82961297)

English

6-({3-Carboxy-1-hydroxy-4-[4-(2-methylpropoxy)phenyl]butylidene}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

group of stereoisomers with the chemical formula C₂₃H₃₀N₂O₇S

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

478.1773722999999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₀N₂O₇S

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based on heuristic

inferred from SMILES

canonical SMILES

CC(C)COc1ccc(CC(CC(O)=NC2C(=O)N3C2SC(C)(C)C3C(=O)O)C(=O)O)cc1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)COc1ccc(CC(CC(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)C(=O)O)cc1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C23H30N2O7S/c1-12(2)11-32-15-7-5-13(6-8-15)9-14(21(28)29)10-16(26)24-17-19(27)25-18(22(30)31)23(3,4)33-20(17)25/h5-8,12,14,17-18,20H,9-11H2,1-4H3,(H,24,26)(H,28,29)(H,30,31)/t14?,17-,18+,20-/m1/s1

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InChIKey

LQDPQSUDTOLBPR-UKEUYLTOSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID301403787

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(Q82961297)

6-({3-Carboxy-1-hydroxy-4-[4-(2-methylpropoxy)phenyl]butylidene}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

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