Compound Identification
SMILES
O.CC1=NC2=CN(NN2C(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N/OCC2=CC(O)=C(O)C=C2C(O)=O)\C2=CSC(N)=N2)C3=O)C(O)=O)=C1)C(O)=O
InChIKey
InChIKey=RTIMEPOGQAJTNU-FMSBSVRKSA-N
Formula
C28H27N9O12S3
Mass
777.76
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 Hydroxybenzoic acid derivatives Triazolopyrimidines Benzoic acids Benzoyl derivatives Catechols 1-hydroxy-2-unsubstituted benzenoids 2,4-disubstituted thiazoles 1,3-thiazines 2-amino-1,3-thiazoles Hydropyrimidines Triazoles Heteroaromatic compounds Tertiary carboxylic acid amides Organic triazanes Ketimines Ketene acetals Amino acids Azetidines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Sulfenyl compounds Dialkylthioethers Primary amines Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Dihydroxybenzoic acid - Alpha-amino acid or derivatives - Hydroxybenzoic acid - Triazolopyrimidine - Benzoic acid - Benzoic acid or derivatives - Catechol - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - 2,4-disubstituted 1,3-thiazole - Phenol - Meta-thiazine - 1,2-dihydropyrimidine - Hydropyrimidine - 1,3-thiazol-2-amine - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Triazole - Azole - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Organic triazane - Ketene acetal or derivatives - Ketimine - Azacycle - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Imine - 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