Compound Identification
SMILES
CO[C@]1(NC(=O)CC2=CC=CC=C2)C2SCC(CSC3=NN=C(C)S3)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=DIROVKDNHLABCN-IJHRGXPZSA-N
Formula
C20H20N4O5S3
Mass
492.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
-
Level 6
Cephalosporins
- Level 7 Cephamycins
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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 - Cephalosporins
Direct Parent
Cephamycins
Alternative Parents
N-acyl-alpha amino acids and derivatives Phenylacetamides Alkylarylthioethers 1,3-thiazines Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Sulfenyl compounds Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephamycin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Aryl thioether - Alkylarylthioether - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Azole - Tertiary carboxylic acid amide - Thiadiazole - Heteroaromatic compound - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Hemithioaminal - Thioether - Dialkylthioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephamycins. These are compounds containing a the cephalosporin (oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid) nucleus, with an alkyloxy group attached to the C6 carbon atom.
External Descriptors
Not available