Compound Identification
SMILES
CC1=NC2=CC=CC=C2C(COC2=CC=C(C=C2)C(O)C(CN2CCNCC2)C(=O)NO)=C1
InChIKey
InChIKey=BJEQQVUPUORORF-UHFFFAOYSA-N
Formula
C25H30N4O4
Mass
450.539
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
- Level 6 Beta 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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Quinolines and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines N-alkylpiperazines Methylpyridines 1,3-aminoalcohols Heteroaromatic compounds Trialkylamines Secondary alcohols Hydroxamic acids Azacyclic compounds Dialkylamines Carbonyl compounds Aromatic alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Quinoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - Methylpyridine - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Pyridine - Benzenoid - Piperazine - 1,3-aminoalcohol - Heteroaromatic compound - Tertiary amine - Secondary alcohol - Tertiary aliphatic amine - Hydroxamic acid - Secondary aliphatic amine - Azacycle - Ether - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Aromatic heteropolycyclic 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