Compound Identification
SMILES
CN1N=NN=C1SCC1=C(N2C(OC1)[C@H](NC(=O)CC1=CC=C(O)C=C1)C2=O)C(O)=O
InChIKey
InChIKey=RDLDGVSRRZWQNT-JBZHPUCOSA-N
Formula
C18H18N6O6S
Mass
446.44
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
-
Class
Carboxylic acids and derivatives
-
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
Phenylacetamides Oxacephems 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids Azetidines Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Sulfenyl compounds Monocarboxylic acids and derivatives Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Phenylacetamide - Oxacephem - Aryl thioether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - Beta-lactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Azetidine - Carboxamide group - Lactam - Amino acid - Secondary carboxylic acid amide - Tertiary amine - Oxacycle - Sulfenyl compound - Thioether - Organoheterocyclic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur 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