Compound Identification
SMILES
COC(=O)C1=C(N2[C@H](SC1)[C@@H](NC(=O)[C@H](OC=O)C1=CC=CC=C1)C2=O)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=YBBAMMUBXMRKJO-SCWLSEGGSA-N
Formula
C31H26N2O8S
Mass
586.62
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
Diphenylmethanes N-acyl-alpha amino acids and derivatives Benzyloxycarbonyls Phenylacetamides Tricarboxylic acids and derivatives 1,3-thiazines Vinylogous amides Tertiary carboxylic acid amides Enoate esters Methyl esters Azetidines Secondary carboxylic acid amides Azacyclic compounds Dialkylthioethers Thiohemiaminal derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - Diphenylmethane - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenylacetamide - Tricarboxylic acid or derivatives - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Tertiary carboxylic acid amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Azetidine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Hemithioaminal - Thioether - Carboxylic acid derivative - Azacycle - Dialkylthioether - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic nitrogen 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