Compound Identification
SMILES
CC1=CN(C[C@H](NC(=O)OCC2=CC=CC=C2)C(O)=O)C(=O)N=C1NCCC(=O)NC1=NC2=CC=CC=C2N1
InChIKey
InChIKey=MBTMOCHOCBQHDN-FQEVSTJZSA-N
Formula
C26H27N7O6
Mass
533.545
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
Alpha amino acids and derivatives Benzyloxycarbonyls Benzimidazoles N-arylamides Pyrimidones Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Hydropyrimidines Imidazoles Heteroaromatic compounds Carbamate esters Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Benzimidazole - N-arylamide - Aminopyrimidine - Pyrimidone - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Azole - Carbamic acid ester - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Amino acid - Secondary amine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - 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