Compound Identification
SMILES
COCC[C@H](CC1(CCCC1)C(=O)N[C@H](CC(O)=O)CC1=NC=C(O1)C1=CC=C(F)C=C1)C(O)=O
InChIKey
InChIKey=UHHHHXKXQQUBDR-MJGOQNOKSA-N
Formula
C25H31FN2O7
Mass
490.528
Taxonomic Classification
Taxonomy Tree
-
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
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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
Phenyl-1,3-oxazoles 2,5-disubstituted oxazoles Fluorobenzenes Aryl fluorides Dicarboxylic acids and derivatives Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkyl ethers Organonitrogen compounds Carbonyl compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,3-oxazole - Beta amino acid or derivatives - 2,5-disubstituted 1,3-oxazole - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Fatty amide - Azole - Heteroaromatic compound - Oxazole - Carboxamide group - Secondary carboxylic acid amide - Ether - Organoheterocyclic compound - Dialkyl ether - Carboxylic acid - Azacycle - Oxacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - 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