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=C(O)C=C4)\C4=CSC(N)=N4)C(=O)N23)C=C1
InChIKey
InChIKey=UFJOUPFMYHMXGC-BTIJWMTASA-N
Formula
C29H26ClN5O9S2
Mass
688.12
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
-
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 Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids 2,4-disubstituted thiazoles Alkyl aryl ethers 1,3-thiazines 2-amino-1,3-thiazoles Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Enoate esters Secondary carboxylic acid amides Amino acids Azetidines Azacyclic compounds Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Primary amines Hydrocarbon derivatives Alkyl chlorides Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Meta-thiazine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - Benzenoid - Thiazole - Tertiary carboxylic acid amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Carboxylic acid ester - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid derivative - Azacycle - Carboxylic acid - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Alkyl chloride - Carbonyl group - Organohalogen compound - Primary amine - Alkyl halide - Organic oxide - Amine - Organic oxygen compound - 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