Compound Identification
SMILES
CO[C@@]1(NC(=O)CC2=NC=CN2)[C@H]2SCC(CSC(=O)C3=CC=CC=C3)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=KGSNQYSKGMRYCL-NHCUHLMSSA-N
Formula
C21H20N4O6S2
Mass
488.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
-
Level 6
Cephalosporins
- Level 7 Cephamycins
-
Level 6
Cephalosporins
-
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 Benzoic acids and derivatives Thiobenzoic acids and derivatives Benzoyl derivatives 1,3-thiazines Tertiary carboxylic acid amides Heteroaromatic compounds Imidazoles Azetidines Thioesters Carbothioic S-esters Secondary carboxylic acid amides Azacyclic compounds Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephamycin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Benzoyl - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Tertiary carboxylic acid amide - Azetidine - Carbothioic s-ester - Carboxamide group - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Thiocarboxylic acid or derivatives - Thioether - Hemithioaminal - Monocarboxylic acid or derivatives - Sulfenyl compound - Dialkylthioether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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