Compound Identification
SMILES
CCCOC1=CC=C(C=C1)C(=O)NN=CC(=O)NC(C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)C1=CC=CC=C1
InChIKey
InChIKey=NNEUNFNJALHRCG-WNJWJOMFSA-N
Formula
C28H31N5O7S
Mass
581.64
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Peptides
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Not available
Direct Parent
Peptides
Alternative Parents
Penicillins N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides Benzoic acids and derivatives Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Tertiary carboxylic acid amides Thiazolidines Azetidines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha peptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Phenylacetamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Penam - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Beta-lactam - Thiazolidine - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Lactam - Monocarboxylic acid or derivatives - Thioether - Ether - Carboxylic acid - Hemithioaminal - Organoheterocyclic compound - Dialkylthioether - Azacycle - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
External Descriptors
Not available