Compound Identification
SMILES
CN[N+]1=CC=C(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N/O[C@H](C(O)=O)C2=CC=C(O)C=C2)\C2=CSC(N)=N2)C3=O)C([O-])=O)C=C1
InChIKey
InChIKey=VPDVQBTVNPNHSN-YBTPFZTGSA-N
Formula
C27H25N7O8S3
Mass
671.72
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
-
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 1-hydroxy-2-unsubstituted benzenoids 2,4-disubstituted thiazoles Alkylarylthioethers 1,3-thiazines Pyridinium derivatives 2-amino-1,3-thiazoles Dicarboxylic acids and derivatives Benzene and substituted derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Dialkylthioethers Carboxylic acids Organic oxides Primary amines Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Meta-thiazine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyridine - Pyridinium - Benzenoid - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Carboxylic acid salt - Amino acid - Carboxamide group - Azetidine - Amino acid or derivatives - Secondary carboxylic acid amide - Dialkylthioether - Hemithioaminal - Carboxylic acid - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic zwitterion - Organosulfur compound - Hydrocarbon derivative - Organic salt - Primary 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