Compound Identification
SMILES
CO[C@]1(NC(=O)CC2=CSC(N)=N2)C2SCC(Cl)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=QDWPCBQFTXMMFC-YUZLPWPTSA-N
Formula
C13H13ClN4O5S2
Mass
404.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
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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 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles 1,3-thiazines Vinylogous halides Heteroaromatic compounds Tertiary carboxylic acid amides Azetidines Amino acids Tertiary amines Secondary carboxylic acid amides Azacyclic compounds Vinyl chlorides Dialkylthioethers Monocarboxylic acids and derivatives Thiohemiaminal derivatives Carboxylic acids Chloroalkenes Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephamycin - 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 - Thiazole - Tertiary carboxylic acid amide - Vinylogous halide - Azole - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Amino acid - Azetidine - Azacycle - Chloroalkene - Haloalkene - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Monocarboxylic acid or derivatives - Vinyl halide - Vinyl chloride - Hemithioaminal - Thioether - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Organic oxide - Amine - 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