Compound Identification
SMILES
CC1=C(N2[C@H](SC1)[C@H](NC(=O)C(N)C1=CC=CC=C1)C2=O)C(=O)OCOC(=O)C(C)(C)C
InChIKey
InChIKey=DIGADQKVPFDJSI-PQYJZYHDSA-N
Formula
C22H27N3O6S
Mass
461.53
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 Alpha amino acid amides Phenylacetamides Acylals Aralkylamines 1,3-thiazines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Enoate esters Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Acetals Azacyclic compounds Dialkylthioethers Monoalkylamines Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - Aralkylamine - Acylal - Meta-thiazine - Dicarboxylic acid or derivatives - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Tertiary carboxylic acid amide - Enoate ester - Carboxylic acid ester - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Amino acid or derivatives - Thioether - Azacycle - Acetal - Carboxylic acid derivative - Hemithioaminal - Dialkylthioether - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - 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