Compound Identification
SMILES
COC1=CC=C(CNC(=O)ON(CC2=CC=C(OC)C=C2)C(=O)O[N+]23[C@@H](SCC(C)=C2C(=O)OCC2=CC=C(OC)C=C2)C(NC(=O)CC2=CC=CS2)(SC)C3=O)C=C1
InChIKey
InChIKey=RRXBZSSWKMDXQY-QELASQFVSA-O
Formula
C41H43N4O11S3
Mass
863.99
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
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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 Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers 1,3-thiazines Thiophenes Enoate esters N,S-acetals Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Sulfenyl compounds Dialkylthioethers Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Thiophene - N,s-acetal - Heteroaromatic compound - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Carboxylic acid derivative - Thioether - Ether - Monocarboxylic acid or derivatives - Azacycle - Carbonyl group - Organic oxide - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic cation - 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