Compound Identification
SMILES
CCOC(=O)NC(CCCC(=O)NC1[C@@H]2SCC(CO)=C(N2C1=O)C(O)=O)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=DAAMJXFBBCNCTF-ZKPZBSICSA-N
Formula
C30H33N3O9S
Mass
611.67
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
Alpha amino acid esters Diphenylmethanes N-acyl-alpha amino acids and derivatives Benzyloxycarbonyls Fatty acid esters 1,3-thiazines Dicarboxylic acids and derivatives N-acyl amines Carbamate esters Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid esters Tertiary amines Azacyclic compounds Carboxylic acids Dialkylthioethers Thiohemiaminal derivatives Carbonyl compounds Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - Alpha-amino acid ester - Diphenylmethane - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Fatty acid ester - Meta-thiazine - Monocyclic benzene moiety - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Fatty amide - N-acyl-amine - Carbamic acid ester - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Azetidine - Amino acid - Carboxamide group - Carboxylic acid ester - Thioether - Hemithioaminal - Carboxylic acid derivative - Carboxylic acid - Azacycle - Dialkylthioether - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Alcohol - Primary alcohol - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Amine - Organonitrogen 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