(Q82953449)

English

Sodium 1-[({2-[(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)imino]-2-hydroxy-1-phenylethyl}imino)(hydroxy)methyl]-4-methyl-1H-pyrazol-3-olate

group of stereoisomers with the chemical formula C₂₁H₂₂N₅NaO₆S

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

495.11884870399996 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₂N₅NaO₆S

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based on heuristic

inferred from SMILES

canonical SMILES

Cc1cn(C(O)=NC(C(O)=NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)nc1[O-].[Na+]

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

Cc1cn(C(O)=NC(C(O)=N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)nc1[O-].[Na+]

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C21H23N5O6S.Na/c1-10-9-25(24-15(10)27)20(32)23-12(11-7-5-4-6-8-11)16(28)22-13-17(29)26-14(19(30)31)21(2,3)33-18(13)26;/h4-9,12-14,18H,1-3H3,(H,22,28)(H,23,32)(H,24,27)(H,30,31);/q;+1/p-1/t12?,13-,14+,18-;/m1./s1

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InChIKey

KDVROWCPWQNOOI-XNQXBXCDSA-M

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DSSTOX compound identifier

DTXCID001397816

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(Q82953449)

Sodium 1-[({2-[(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)imino]-2-hydroxy-1-phenylethyl}imino)(hydroxy)methyl]-4-methyl-1H-pyrazol-3-olate

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