Compound Identification
SMILES
CN(C)CCC[N+]1=CC=CC(S\C=C\C2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N/OCC=C)\C2=CSC(N)=N2)C3=O)C(O)=O)=C1
InChIKey
InChIKey=PQVNOIVRNWKOHE-DFMPBEJESA-O
Formula
C27H32N7O5S3
Mass
630.78
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 Aryl thioethers 2,4-disubstituted thiazoles 1,3-thiazines 2-amino-1,3-thiazoles Pyridinium derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Thioenol ethers Amino acids Azetidines Secondary carboxylic acid amides Sulfenyl compounds Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Primary amines Organic oxides Organic cations
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 - Meta-thiazine - Pyridinium - 1,3-thiazol-2-amine - Pyridine - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Azole - Tertiary aliphatic amine - Carboxamide group - Thioenolether - Azetidine - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Amino acid - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Amine - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Organic oxygen 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