Compound Identification
SMILES
COC1=CC=C(COC(=O)C2=C(CCC3=C(N4[C@H](SC3)[C@H](NC(=O)CC3=CC=CC=C3)C4=O)C(=O)OCC3=CC=C(OC)C=C3)CS[C@@H]3[C@H](NC(=O)CC4=CC=CC=C4)C(=O)N23)C=C1
InChIKey
InChIKey=FKCYGNLIWDPWRE-RSHUKEBTSA-N
Formula
C48H46N4O10S2
Mass
903.03
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 Benzyloxycarbonyls Phenylacetamides Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Dicarboxylic acids and derivatives 1,3-thiazines Tertiary carboxylic acid amides Enoate esters Azetidines Secondary carboxylic acid amides Dialkylthioethers Thiohemiaminal derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenylacetamide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Meta-thiazine - Dicarboxylic acid or derivatives - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Azetidine - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Ether - Thioether - Hemithioaminal - Carboxylic acid derivative - Dialkylthioether - Azacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - 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