Compound Identification
SMILES
CCOOP(=O)(OOCC)C(CC(=O)OCC1=C(N2[C@@H](SC1)[C@H](NC(=O)C(=NOC)C1=CSC(NC(=O)OC(C)(C)C)=N1)C2=O)C(O)=O)P(=O)(OOCC)OOCC
InChIKey
InChIKey=YDLKSFQUKYPQKH-GJZUVCINSA-N
Formula
C30H45N5O19P2S2
Mass
905.77
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 Bisphosphonates 2,4-disubstituted thiazoles 1,3-thiazines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Carbamate esters Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid esters Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Hydrocarbon derivatives Organic oxides Organophosphorus compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Bisphosphonate - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - Dicarboxylic acid or derivatives - Organophosphonic acid derivative - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Thiazole - Carbamic acid ester - Tertiary amine - Secondary carboxylic acid amide - Azetidine - Carboxylic acid ester - Carboxamide group - Amino acid - Amino acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Thioether - Hemithioaminal - Dialkylthioether - Azacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Hydrocarbon derivative - 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