Compound Identification
SMILES
CC1=NC2=NC(=NN2C(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N\OC(C)(C)C(=O)NNC(=O)C2=CC(O)=C(O)C=C2)\C2=CSC(N)=N2)C3=O)C(O)=O)=C1)C(N)=O
InChIKey
InChIKey=GWSLXXSCIUOULO-CXEDLLGBSA-N
Formula
C31H30N12O10S3
Mass
826.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
-
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 Triazolopyrimidines Benzoic acids and derivatives 2-heteroaryl carboxamides Benzoyl derivatives Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2,4-disubstituted thiazoles Alkylarylthioethers 1,3-thiazines Pyrimidines and pyrimidine derivatives 2-amino-1,3-thiazoles Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Amino acids Azetidines Carboxylic acid hydrazides Sulfenyl compounds Azacyclic compounds Thiohemiaminal derivatives Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Triazolopyrimidine - Benzoic acid or derivatives - 2-heteroaryl carboxamide - Aryl thioether - Catechol - Benzoyl - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Benzenoid - Pyrimidine - Meta-thiazine - 1,3-thiazol-2-amine - Monocyclic benzene moiety - Thiazole - Tertiary carboxylic acid amide - 1,2,4-triazole - Triazole - Azole - Heteroaromatic compound - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Carboxylic acid hydrazide - Secondary carboxylic acid amide - Primary carboxylic acid amide - Thioether - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Hemithioaminal - Monocarboxylic acid or derivatives - Primary amine - Hydrocarbon derivative - Carbonyl group - Amine - Organosulfur compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - 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