Compound Identification
SMILES
CC(=O)CC(=O)OCC1=C(N2[C@@H](SC1)[C@H](NC(=O)C=NOC(C)(CC1=CSC(NC(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)=N1)C(=O)OC(C)(C)C)C2=O)C(O)=O
InChIKey
InChIKey=JNGVCRVMKQSIPC-VGNGFEAYSA-N
Formula
C44H45N5O10S2
Mass
867.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
-
Level 6
Cephalosporins
- Level 7 Cephalosporin 3'-esters
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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 - Cephalosporins
Direct Parent
Cephalosporin 3'-esters
Alternative Parents
Triphenyl compounds N-acyl-alpha amino acids and derivatives Tricarboxylic acids and derivatives 2,4-disubstituted thiazoles Secondary alkylarylamines Beta-keto acids and derivatives Fatty acid esters 1,3-dicarbonyl compounds 1,3-thiazines 2-amino-1,3-thiazoles Benzene and substituted derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Ketones Carboxylic acid esters Oxime ethers Azetidines Amino acids Secondary carboxylic acid amides Tertiary amines Dialkylthioethers Carboxylic acids Azacyclic compounds Thiohemiaminal derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - Triphenyl compound - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Beta-keto acid - Fatty acid ester - Secondary aliphatic/aromatic amine - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Keto acid - Meta-thiazine - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Carboxylic acid ester - Ketone - Oxime ether - Tertiary amine - Secondary carboxylic acid amide - Dialkylthioether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hemithioaminal - Thioether - Secondary amine - Organic nitrogen compound - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephalosporin 3'-esters. These are cephalosporins that are esterified at the 3'-position.
External Descriptors
Not available