Compound Identification
SMILES
N[C@@H](CSCC1=C(SC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N/O)\C2=C(Cl)SC(N)=N2)C3=O)C(O)=O)C=CN=C1)C(N)=O
InChIKey
InChIKey=NQJSPQWISIXPFA-TZMAOPCTSA-N
Formula
C21H21ClN8O6S4
Mass
645.14
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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 Cysteine and derivatives Alpha amino acid amides Aryl thioethers 2,4,5-trisubstituted thiazoles Vinylogous thioesters 1,3-thiazines Aryl chlorides 2-amino-1,3-thiazoles Pyridines and derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Ketoximes Thioenol ethers Amino acids Azetidines Primary carboxylic acid amides Secondary carboxylic acid amides Thiohemiaminal derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cysteine or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4,5-trisubstituted 1,3-thiazole - Meta-thiazine - Aryl halide - 1,3-thiazol-2-amine - Vinylogous thioester - Aryl chloride - Pyridine - Heteroaromatic compound - Azole - Ketoxime - Tertiary carboxylic acid amide - Thiazole - Secondary carboxylic acid amide - Primary carboxylic acid amide - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Thioenolether - Sulfenyl compound - Carboxylic acid derivative - Dialkylthioether - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Thioether - Hemithioaminal - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - 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