Compound Identification
SMILES
COC1=CC=C(COC(=O)C2=C(CS[C@@H]3[C@H](NC(=O)CC4=CC=CC=C4)C(=O)N23)SC2=NN=NN2C)C=C1
InChIKey
InChIKey=ICBLWTHJBKJPFQ-NFBKMPQASA-N
Formula
C25H24N6O5S2
Mass
552.62
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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Subclass
Beta lactams
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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 Benzyloxycarbonyls Anisoles Aryl thioethers Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Vinylogous thioesters 1,3-thiazines Tetrazoles Tertiary carboxylic acid amides Enoate esters Heteroaromatic compounds Thioenol ethers Secondary carboxylic acid amides Azetidines Dialkylthioethers Sulfenyl compounds Azacyclic compounds Thiohemiaminal derivatives Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Benzyloxycarbonyl - Phenylacetamide - Alpha-amino acid or derivatives - Phenol ether - Phenoxy compound - Aryl thioether - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Vinylogous thioester - Meta-thiazine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Tetrazole - Azetidine - Carboxamide group - Carboxylic acid ester - Thioenolether - Secondary carboxylic acid amide - Thioether - Monocarboxylic acid or derivatives - Ether - Hemithioaminal - Azacycle - Carboxylic acid derivative - Dialkylthioether - Sulfenyl compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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