Compound Identification
SMILES
CCCON=C(C(=O)NC1[C@@H]2SCC=C(N2C1=O)C(=O)OC(C)OC(=O)OCC)C1=CSC(N)=N1
InChIKey
InChIKey=QHNAYTFMBHXBCI-VGRBBQTDSA-N
Formula
C20H25N5O8S2
Mass
527.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- 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
Direct Parent
Cephalosporins
Alternative Parents
N-acyl-alpha amino acids and derivatives 2,4-disubstituted thiazoles 1,3-thiazines Primary aromatic amines 2-amino-1,3-thiazoles Carbonic acid diesters Tertiary carboxylic acid amides Enoate esters Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Dialkylthioethers Thiohemiaminal derivatives Azacyclic compounds Acetals Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organopnictogen compounds 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 - Carbonic acid diester - Primary aromatic amine - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary carboxylic acid amide - Amino acid or derivatives - Carbonic acid derivative - Azetidine - Carboxylic acid ester - Carboxamide group - Acetal - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Primary amine - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Amine - 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