Compound Identification
SMILES
OC(=O)[C@@H](CNC(=O)C1=CC(OCCCNC2=NCCN2)=NO1)NC(=O)OC1=CC=CC=C1
InChIKey
InChIKey=KWRQUKXBRPWWQZ-CQSZACIVSA-N
Formula
C20H24N6O7
Mass
460.447
Taxonomic Classification
Taxonomy Tree
-
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 2-heteroaryl carboxamides Imidazolyl carboxylic acids and derivatives Alkyl aryl ethers Isoxazoles Imidazolines Heteroaromatic compounds Carbamate esters Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Azacyclic compounds Carbonyl compounds Amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - 2-heteroaryl carboxamide - Phenoxy compound - Imidazolyl carboxylic acid derivative - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - 2-imidazoline - Isoxazole - Carbamic acid ester - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboximidamide - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - 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