Compound Identification
SMILES
CC1=NC2=NC(=NN2C(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N/OCC2=C(C=CC4=C2OC(C)(C)O4)C(=O)OC(C)(C)C)\C2=CSC(N)=N2)C3=O)C(=O)OC(C2=CC=CC=C2)C2=CC=CC=C2)=C1)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=BVXPPVJHRBNCPL-VNCMJOBMSA-N
Formula
C61H55N9O11S3
Mass
1186.34
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 N-acyl-alpha amino acids and derivatives Benzyloxycarbonyls Tricarboxylic acids and derivatives Triazolopyrimidines Benzodioxoles 2,4-disubstituted thiazoles Alkylarylthioethers Ketals Pyrimidines and pyrimidine derivatives Primary aromatic amines 1,3-thiazines 2-amino-1,3-thiazoles Heteroaromatic compounds Enoate esters Tertiary carboxylic acid amides Triazoles Secondary carboxylic acid amides Azetidines Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Dialkylthioethers Thiohemiaminal derivatives Hydrocarbon derivatives Organopnictogen compounds Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Diphenylmethane - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Triazolopyrimidine - Tricarboxylic acid or derivatives - Benzodioxole - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Ketal - Alkylarylthioether - Pyrimidine - Primary aromatic amine - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - 1,3-thiazol-2-amine - Azole - 1,2,4-triazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Thiazole - Triazole - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Sulfenyl compound - Dialkylthioether - Oxacycle - Carboxylic acid derivative - Acetal - Azacycle - Amine - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Primary 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