Compound Identification
SMILES
CC1=NC=C(N1CCN1C(=O)C2C(NC(CC3=CNC4=CC=CC=C34)(C2C1=O)C(O)=O)C1=NC=CS1)[N+]([O-])=O
InChIKey
InChIKey=HKORHVZKOKKCIY-UHFFFAOYSA-N
Formula
C25H23N7O6S
Mass
549.56
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acids
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
-
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
Alpha amino acids
Alternative Parents
3-alkylindoles Imidazolyl carboxylic acids and derivatives Nitroaromatic compounds Nitroimidazoles Pyrrolidine carboxylic acids 1,2,5-trisubstituted imidazoles Aralkylamines N-alkylpyrrolidines N-substituted carboxylic acid imides N-substituted imidazoles Substituted pyrroles Pyrrolidine-2-ones Benzenoids Dicarboximides Heteroaromatic compounds Thiazoles Lactams Amino acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carboxylic acids Dialkylamines Monocarboxylic acids and derivatives Carbonyl compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid - 3-alkylindole - Indole - Indole or derivatives - 1,2,5-trisubstituted-imidazole - Nitroaromatic compound - Imidazolyl carboxylic acid derivative - Trisubstituted imidazole - Nitroimidazole - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Aralkylamine - Pyrrolidone - 2-pyrrolidone - Substituted pyrrole - Benzenoid - N-substituted imidazole - Carboxylic acid imide, n-substituted - N-alkylpyrrolidine - Azole - Carboxylic acid imide - Dicarboximide - Imidazole - Heteroaromatic compound - Pyrrole - Pyrrolidine - Thiazole - Amino acid - Lactam - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary aliphatic amine - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
External Descriptors
Not available