Compound Identification
SMILES
COC1=C[N+](CC2=C(N3[C@@H](SC2)[C@H](NC(=O)C(=NO[C@H]2CCNC2=O)C2=CSC(N)=N2)C3=O)C(O)=O)=CC(NC=O)=C1
InChIKey
InChIKey=IYSKMRVVQWYGJJ-JIGPKXGUSA-O
Formula
C24H25N8O8S2
Mass
617.63
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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 N-arylamides 2,4-disubstituted thiazoles Alkyl aryl ethers 1,3-thiazines 2-amino-1,3-thiazoles Pyrrolidine-2-ones Pyridinium derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Dialkylthioethers Carboxylic acids Azacyclic compounds Thiohemiaminal derivatives Monocarboxylic acids and derivatives Carbonyl compounds Primary amines Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - N-arylamide - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Meta-thiazine - Pyridine - Pyridinium - Pyrrolidone - 2-pyrrolidone - 1,3-thiazol-2-amine - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Azole - Pyrrolidine - Amino acid or derivatives - Azetidine - Tertiary amine - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Hemithioaminal - Azacycle - Dialkylthioether - Monocarboxylic acid or derivatives - Ether - Thioether - Carboxylic acid - Carboxylic acid derivative - Amine - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Primary amine - Organic nitrogen compound - Organic oxygen 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