Compound Identification
SMILES
CON=C(C(=O)N[C@H]1[C@@H]2SCC(C(C)SC3=NNC(=N3)C3=COC=C3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1
InChIKey
InChIKey=IJXGTRVOHZSUDF-MKWISFHJSA-N
Formula
C21H20N8O6S3
Mass
576.62
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 Alkylarylthioethers 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles 1,3-thiazines Tertiary carboxylic acid amides Triazoles Heteroaromatic compounds Furans Azetidines Amino acids Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Thiohemiaminal derivatives Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Meta-thiazine - 1,3-thiazol-2-amine - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Azole - 1,2,4-triazole - Furan - Carboxamide group - Azetidine - Secondary carboxylic acid amide - Amino acid - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Sulfenyl compound - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Amine - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Carbonyl group - 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