Compound Identification
SMILES
CCOC1=C(C(=O)NC2C3SC(C)(C)C(N3C2=O)C(O)=O)C2=C(C=CC(NCCC(O)(P(O)(O)=O)P(O)(O)=O)=C2)C=C1
InChIKey
InChIKey=RBDHWKUZXZXFPN-UHFFFAOYSA-N
Formula
C24H31N3O12P2S
Mass
647.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Lactams
-
Subclass
Beta lactams
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Level 5
Penams
- Level 6 Penicillins
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Level 5
Penams
-
Subclass
Beta lactams
-
Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Penams
Direct Parent
Penicillins
Alternative Parents
N-acyl-alpha amino acids and derivatives Naphthalenecarboxamides Bisphosphonates Phenol ethers Secondary alkylarylamines Alkyl aryl ethers Tertiary carboxylic acid amides Organic phosphonic acids Thiazolidines 1,3-aminoalcohols Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organophosphorus compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - 1-naphthalenecarboxylic acid or derivatives - N-acyl-alpha amino acid or derivatives - 1-naphthalenecarboxamide - Naphthalene - Alpha-amino acid or derivatives - Bisphosphonate - Phenol ether - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Benzenoid - Organophosphonic acid derivative - Organophosphonic acid - 1,3-aminoalcohol - Thiazolidine - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Azacycle - Dialkylthioether - Hemithioaminal - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Thioether - Secondary amine - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].
External Descriptors
Not available