(Q82909157)

English

7-[(2-Amino-1-hydroxy-2-phenylethylidene)amino]-8-oxo-3-({[(1H-1,2,3-triazol-5-yl)methyl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

group of stereoisomers with the chemical formula C₁₉H₂₀N₆O₄S₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

460.0987451200001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₀N₆O₄S₂

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based on heuristic

inferred from SMILES

canonical SMILES

NC(C(O)=NC1C(=O)N2C(C(=O)O)=C(CSCc3cnn[nH]3)CSC12)c1ccccc1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

NC(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSCc3cnn[nH]3)CS[C@H]12)c1ccccc1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C19H20N6O4S2/c20-13(10-4-2-1-3-5-10)16(26)22-14-17(27)25-15(19(28)29)11(8-31-18(14)25)7-30-9-12-6-21-24-23-12/h1-6,13-14,18H,7-9,20H2,(H,22,26)(H,28,29)(H,21,23,24)/t13?,14-,18-/m1/s1

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InChIKey

YIRHZUDRWFEYJJ-JDPNFYKBSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID601362011

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(Q82909157)

7-[(2-Amino-1-hydroxy-2-phenylethylidene)amino]-8-oxo-3-({[(1H-1,2,3-triazol-5-yl)methyl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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