Compound Identification
SMILES
COC1=C(OC)C=C(CCN2CN(CSC2=S)C(C(=O)NC2C3SCC(C)=C(N3C2=O)C(O)=O)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=NRMNWZXGMPPOAG-UHFFFAOYSA-N
Formula
C29H32N4O6S3
Mass
628.78
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 Dimethoxybenzenes Phenylacetamides Anisoles Phenoxy compounds Alkyl aryl ethers Thiadiazinanes 1,3-thiazines Cyclic dithiocarbamic acid esters Tertiary carboxylic acid amides Azetidines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Phenylacetamide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Thiadiazinane - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Dialkylthioether - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Ether - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organooxygen 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