Compound Identification
SMILES
COC1=CC=C(COC(=O)C2=C(CCl)CS[C@@H]3[C@H](NC(=O)C(=N/O[C@@H](C(O)=O)C4=CC(O)=C(O)C=C4)\C4=CSC(N)=N4)C(=O)N23)C=C1
InChIKey
InChIKey=QEQKGHJGTFAYGX-IVHUBMAGSA-N
Formula
C29H26ClN5O10S2
Mass
704.12
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
-
Subclass
Beta lactams
-
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
N-acyl-alpha amino acids and derivatives Benzyloxycarbonyls Anisoles Catechols Methoxybenzenes Phenoxy compounds 2,4-disubstituted thiazoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids 2-amino-1,3-thiazoles 1,3-thiazines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Enoate esters Heteroaromatic compounds Azetidines Amino acids Secondary carboxylic acid amides Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Primary amines Alkyl chlorides Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Benzyloxycarbonyl - Alpha-amino acid or derivatives - Phenol ether - Catechol - Anisole - Methoxybenzene - Phenoxy compound - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - 1,3-thiazol-2-amine - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Azole - Thiazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Azetidine - Amino acid - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Organooxygen compound - Primary amine - Alkyl chloride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Alkyl halide - Organochloride - Hydrocarbon derivative - Organohalogen compound - Amine - 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