Compound Identification
SMILES
CCN1C=C(C=N1)C(=O)NC1C2SCC(CSC3=NN=C(C)S3)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=XUTIBJKQVLMYNY-UHFFFAOYSA-N
Formula
C17H18N6O4S3
Mass
466.55
Taxonomic Classification
Taxonomy Tree
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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 Amino acids and derivatives
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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
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Cephems Pyrazole-4-carboxamides Alkylarylthioethers 1,3-thiazines Vinylogous amides Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Cephem - Aryl thioether - Pyrazole-4-carboxamide - Alkylarylthioether - Meta-thiazine - Azole - Beta-lactam - Pyrazole - Tertiary carboxylic acid amide - Thiadiazole - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Lactam - Azetidine - Secondary carboxylic acid amide - Hemithioaminal - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Carboxylic acid - Thioether - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available