Compound Identification
SMILES
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC([C@@H]3CC4=CC=CC=C4O3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1
InChIKey
InChIKey=SCAFHXDDWVNNPF-MPEKLAHWSA-N
Formula
C21H19N5O6S2
Mass
501.53
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
-
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 Coumarans 2,4-disubstituted thiazoles Alkyl aryl ethers 1,3-thiazines 2-amino-1,3-thiazoles Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Hydrocarbon derivatives Primary amines Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Coumaran - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Meta-thiazine - 1,3-thiazol-2-amine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Azole - Azetidine - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Amino acid or derivatives - Thioether - Hemithioaminal - Dialkylthioether - Monocarboxylic acid or derivatives - Ether - Azacycle - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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