Compound Identification
SMILES
COC1=CC=C(C=C1)C1=CSC(=N1)N1N=C(C)[C@@H](N=NC2=CC=CC(CO)=C2)C1=O
InChIKey
InChIKey=MOIFBAFVTBQNST-LJQANCHMSA-N
Formula
C21H19N5O3S
Mass
421.48
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
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Phenoxy compounds Anisoles Methoxybenzenes Benzyl alcohols 2,4-disubstituted thiazoles Alkyl aryl ethers Pyrazolones Heteroaromatic compounds Azo compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Aromatic alcohols Organic oxides Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Benzyl alcohol - Phenol ether - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Thiazole - Pyrazoline - Azole - Heteroaromatic compound - Azo compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Ether - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Alcohol - Aromatic alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available