Compound Identification
SMILES
COC1=CC=C(COC(=O)C2=C(C[N+]3=CN=C(N)C=C3)CS[C@@H]3[C@H](NC(=O)C(=N/O[C@H](C(O)=O)C4=CC(O)=C(O)C=C4)\C4=CSC(N)=N4)C(=O)N23)C=C1
InChIKey
InChIKey=NBKJIUNNNWLEQM-JUFIIOIISA-O
Formula
C33H31N8O10S2
Mass
763.78
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 Benzyloxycarbonyls Anisoles Catechols Methoxybenzenes Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2,4-disubstituted thiazoles Alkyl aryl ethers Aminopyrimidines and derivatives Dicarboxylic acids and derivatives Imidolactams 1,3-thiazines 2-amino-1,3-thiazoles Heteroaromatic compounds Enoate esters Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids Azetidines Dialkylthioethers Carboxylic acids Azacyclic compounds Thiohemiaminal derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Primary amines 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 - Catechol - Methoxybenzene - Phenol ether - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Aminopyrimidine - Phenol - Meta-thiazine - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Dicarboxylic acid or derivatives - Imidolactam - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxamide group - Azetidine - Amino acid or derivatives - Carboxylic acid ester - Amino acid - Secondary carboxylic acid amide - Hemithioaminal - Thioether - Ether - Azacycle - Carboxylic acid - Carboxylic acid derivative - Dialkylthioether - Primary amine - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Amine - Organonitrogen 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