Compound Identification
SMILES
COC(=O)c1ccc(cc1)[C@H](CC(=O)N[C@@H](C(C)C)C(\O)=C1\C(=O)NC(O)=C1C)NC(=O)OC(C)(C)C
InChIKey
InChIKey=GAKRRIOPOFSHIZ-NCJRZWPZSA-N
Formula
C26H35N3O8
Mass
517.579
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
Benzoic acid esters Benzoyl derivatives Fatty amides Vinylogous acids Pyrrolines Methyl esters Carbamate esters Secondary carboxylic acid amides Lactams Ketene acetals Alkanolamines Azacyclic compounds Enols Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Fatty amide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyrroline - Carbamic acid ester - Methyl ester - Vinylogous acid - Carboxamide group - Lactam - Ketene acetal or derivatives - Secondary carboxylic acid amide - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Enol - Alkanolamine - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic 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