Compound Identification
SMILES
CNC1C=C(N)NC(SCC2=C(N3[C@@H](SC2)C(NC(=O)C(=N/OC(C)CC(O)=O)\C2=CSC(N)=N2)C3=O)C(O)=O)=[N+]1N
InChIKey
InChIKey=GYUVQGLFLNALEZ-OZDHAAFKSA-O
Formula
C22H29N10O7S3
Mass
641.72
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 2,4-disubstituted thiazoles 1,3-thiazines 2-amino-1,3-thiazoles Dicarboxylic acids and derivatives Hydropyrimidines Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Ketene acetals Dialkylthioethers Carboxylic acids Carboximidamides Thiohemiaminal derivatives Azacyclic compounds Sulfenyl compounds Primary amines Carbonyl compounds 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 - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - 1,3-thiazol-2-amine - Dicarboxylic acid or derivatives - Hydropyrimidine - Azole - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Ketene acetal or derivatives - Carboxamide group - Azetidine - Amino acid or derivatives - Secondary carboxylic acid amide - Amino acid - Thioether - Carboxylic acid derivative - Carboxylic acid - Hemithioaminal - Carboximidamide - Sulfenyl compound - Dialkylthioether - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - 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