Compound Identification
SMILES
CC(C)CC(=O)OOC(=O)C1=C(N2[C@H](SC1)[C@@H](NC(=O)CC1=CC=CC=C1)C2=O)C(=O)OC(C)(C)C
InChIKey
InChIKey=CSLOWJBMAOMAJW-SIKLNZKXSA-N
Formula
C25H30N2O8S
Mass
518.58
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 Phenylacetamides Tricarboxylic acids and derivatives 1,3-thiazines Diacyl peroxides Vinylogous amides Tertiary carboxylic acid amides Peroxycarboxylic acids and derivatives Enoate esters Azetidines Secondary carboxylic acid amides Dialkylthioethers Azacyclic compounds Thiohemiaminal derivatives Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Tricarboxylic acid or derivatives - Meta-thiazine - Diacyl peroxide - Monocyclic benzene moiety - Benzenoid - Peroxycarboxylic acid or derivatives - Tertiary carboxylic acid amide - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Thioether - Dialkylthioether - Hemithioaminal - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen 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