Compound Identification
SMILES
COC(OC(C)=O)C1=C(N2[C@H](SC1)[C@H](NC(=O)CC1=C(Cl)SC(N)=N1)C2=O)C(O)=O
InChIKey
InChIKey=WSQOTGQKWXVPCQ-BMMFJKPISA-N
Formula
C16H17ClN4O7S2
Mass
476.9
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
-
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
N-acyl-alpha amino acids and derivatives 2,4,5-trisubstituted thiazoles Dicarboxylic acids and derivatives Aryl chlorides 2-amino-1,3-thiazoles 1,3-thiazines Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azetidines Amino acids Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Acetals Primary amines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Dicarboxylic acid or derivatives - Aryl halide - Aryl chloride - Meta-thiazine - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Azole - Amino acid - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Azetidine - Amino acid or derivatives - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Amine - 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