Compound Identification
SMILES
CC1=C(N2[C@@H](SC1)C(NC(=O)CNC1=CC3=C(C=C1)C=C(Cl)C=C3)C2=O)C(O)=O
InChIKey
InChIKey=YRIOHTHGEPBWER-CVMIBEPCSA-N
Formula
C20H18ClN3O4S
Mass
431.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
Cephalosporins N-acyl-alpha amino acids and derivatives Alpha amino acid amides Chloronaphthalenes Secondary alkylarylamines 1,3-thiazines Aryl chlorides Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Organochlorides Carbonyl compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha peptide - Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Chloronaphthalene - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Naphthalene - Cephem - Secondary aliphatic/aromatic amine - Meta-thiazine - Aryl chloride - Aryl halide - Benzenoid - Beta-lactam - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Lactam - Secondary amine - Thioether - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Dialkylthioether - Hemithioaminal - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organochloride - Organopnictogen compound - Organic oxide - Amine - Organohalogen compound - Organic oxygen 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