Compound Identification
SMILES
CC(C)(C)OC(=O)NC(CSCC(=O)NC1=NC=C(S1)C1=C(N2C(C(NC(=O)CSC3=CC(Cl)=C(Cl)C=C3)C2=O)S(=O)C1)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=HOPQYKFRFIDHGQ-UHFFFAOYSA-N
Formula
C54H49Cl2N5O10S4
Mass
1127.15
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Lactams
-
Subclass
Beta lactams
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Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
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Subclass
Beta lactams
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Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Cephems
Direct Parent
Cephalosporins
Alternative Parents
Alpha amino acid esters Diphenylmethanes N-acyl-alpha amino acids and derivatives Cysteine and derivatives Benzyloxycarbonyls N-arylamides Thiophenol ethers Dichlorobenzenes 2,5-disubstituted thiazoles Alkylarylthioethers Aryl chlorides Dicarboxylic acids and derivatives 1,3-thiazines Heteroaromatic compounds Enoate esters Tertiary carboxylic acid amides Carbamate esters Secondary carboxylic acid amides Sulfoxides Azetidines Sulfenyl compounds Sulfinyl compounds Azacyclic compounds Dialkylthioethers Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Diphenylmethane - Cysteine or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Aryl thioether - Thiophenol ether - N-arylamide - 1,2-dichlorobenzene - 2,5-disubstituted 1,3-thiazole - Chlorobenzene - Alkylarylthioether - Halobenzene - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Aryl halide - Aryl chloride - Meta-thiazine - Tertiary carboxylic acid amide - Thiazole - Carbamic acid ester - Azole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Azetidine - Carboxamide group - Carboxylic acid ester - Sulfoxide - Secondary carboxylic acid amide - Azacycle - Dialkylthioether - Sulfenyl compound - Carboxylic acid derivative - Sulfinyl compound - Thioether - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.
External Descriptors
Not available