Compound Identification
SMILES
CCNCC1=C(N2[C@@H](SC1)[C@H](NC(=O)C(=N/OCCCl)\C1=CSC(N)=N1)C2=O)C(O)=O
InChIKey
InChIKey=URVBATHVOGLKJI-ZBRJVVTESA-N
Formula
C17H21ClN6O5S2
Mass
488.96
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 2,4-disubstituted thiazoles 1,3-thiazines 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylamines Dialkylthioethers Organochlorides Carbonyl compounds Alkyl chlorides Organic oxides Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - 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 - Heteroaromatic compound - Azole - Thiazole - Tertiary carboxylic acid amide - Amino acid - Amino acid or derivatives - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Dialkylthioether - Hemithioaminal - Carboxylic acid derivative - Carboxylic acid - Thioether - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organic oxide - Alkyl halide - Alkyl chloride - Carbonyl group - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - 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