Compound Identification
SMILES
CC1=NN=C(S1)C1=C(N2[C@@H](SC1)C(NC(=O)CCCC(NC(=O)C1=CC(=CC=C1)C(C)(C)C)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1)C2=O)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=MRJCDPNXZZPURZ-FVHGRSQHSA-N
Formula
C53H51N5O7S2
Mass
934.14
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
Diphenylmethanes Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid esters Benzyloxycarbonyls Phenylpropanes Benzoyl derivatives Fatty acid esters N-acyl amines Dicarboxylic acids and derivatives 1,3-thiazines Tertiary carboxylic acid amides Heteroaromatic compounds Enoate esters Thiadiazoles Secondary carboxylic acid amides Azetidines Azacyclic compounds Dialkylthioethers Thiohemiaminal derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - Alpha-amino acid ester - Diphenylmethane - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Benzamide - Benzoic acid or derivatives - Phenylpropane - Benzoyl - Fatty acid ester - Meta-thiazine - Monocyclic benzene moiety - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Fatty amide - N-acyl-amine - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Azole - Thiadiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Azetidine - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Thioether - Dialkylthioether - Carboxylic acid derivative - Azacycle - Hemithioaminal - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen 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