Compound Identification
SMILES
C[C@H](N)C(=O)C(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)C1=C(N2[C@@H](SC1)[C@H](NC(=O)CC1=CC=CS1)C2=O)C(O)=O
InChIKey
InChIKey=KCKIFRUWBQGJHD-HOGDPCAUSA-N
Formula
C25H32N4O9S2
Mass
596.67
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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Alanine and derivatives Alpha-acyloxy ketones Dicarboxylic acids and derivatives 1,3-thiazines Monosaccharides Carbamate esters Alpha-amino ketones Thiophenes Heteroaromatic compounds Tertiary carboxylic acid amides Carboxylic acid esters Amino acids Azetidines Tertiary amines Secondary carboxylic acid amides Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alanine or derivatives - Alpha-amino acid or derivatives - Alpha-acyloxy ketone - Meta-thiazine - Dicarboxylic acid or derivatives - Monosaccharide - Alpha-aminoketone - Heteroaromatic compound - Carbamic acid ester - Thiophene - Tertiary carboxylic acid amide - Amino acid - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Ketone - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Thioether - Hemithioaminal - Dialkylthioether - Carboxylic acid - Carboxylic acid derivative - Primary aliphatic amine - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - Organic oxygen compound - 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