(Q83064324)

English

Oxybicillin

group of stereoisomers with the chemical formula C₄₈H₅₆N₆O₁₀S₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

940.349933992 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₈H₅₆N₆O₁₀S₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1(C)SC2C(N=C(O)Cc3ccccc3)C(=O)N2C1C(=O)O.CC1(C)SC2C(N=C(O)Cc3ccccc3)C(=O)N2C1C(=O)O.Oc1ccccc1CNCCNCc1ccccc1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1(C)SC2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CC1(C)SC2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.Oc1ccccc1CNCCNCc1ccccc1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/2C16H18N2O4S.C16H20N2O2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-8,17-20H,9-12H2/t2*11-,12+,14?;/m11./s1

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InChIKey

QDCQBITXGBDDCP-WYOCMTACSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID60114238

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(Q83064324)

Oxybicillin

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Identifiers

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