Compound Identification
SMILES
NC(CC(=O)NC1=C(SC=C1)C1=NC(=O)C(O)=C(N1)C(O)=O)C1=CC=CC=C1
InChIKey
InChIKey=NGSUTGCGLAIPRF-UHFFFAOYSA-N
Formula
C18H16N4O5S
Mass
400.41
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Pyrimidinecarboxylic acids Hydropyrimidine carboxylic acids and derivatives N-arylamides Pyrimidones Aralkylamines Hydroxypyrimidines Benzene and substituted derivatives Fatty amides Vinylogous amides Vinylogous acids Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Organic oxides Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Hydropyrimidine carboxylic acid derivative - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - N-arylamide - Pyrimidone - Hydroxypyrimidine - Aralkylamine - Monocyclic benzene moiety - Fatty amide - Hydropyrimidine - Pyrimidine - Benzenoid - Fatty acyl - Heteroaromatic compound - Thiophene - Vinylogous amide - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Primary aliphatic amine - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available