Compound Identification
SMILES
OC(=O)C(F)(F)F.NC(=N)C1=CC=C(CC(=O)N[C@H]2CCN([C@@H](CC(O)=O)C(=O)N[C@H](C(O)=O)C34CC5CC(CC(C5)C3)C4)C2=O)C=C1
InChIKey
InChIKey=HZHXYBWGXWDVSF-YNPIKGFQSA-N
Formula
C31H38F3N5O9
Mass
681.666
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
Alpha amino acids and derivatives
- Level 7 Aspartic acid and derivatives
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Level 6
Alpha amino acids and derivatives
-
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 - Alpha amino acids and derivatives
Direct Parent
Aspartic acid and derivatives
Alternative Parents
N-acyl-L-alpha-amino acids Phenylacetamides Pyrrolidine-2-ones N-alkylpyrrolidines N-acyl amines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Alpha-halocarboxylic acids Tertiary amines Secondary carboxylic acid amides Amino acids Lactams Azacyclic compounds Carboxamidines Carboximidamides Carboxylic acids Carbonyl compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Aspartic acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Phenylacetamide - 2-pyrrolidone - Pyrrolidone - N-alkylpyrrolidine - Benzenoid - Fatty amide - Dicarboxylic acid or derivatives - N-acyl-amine - Fatty acyl - Monocyclic benzene moiety - Alpha-halocarboxylic acid or derivatives - Pyrrolidine - Tertiary carboxylic acid amide - Alpha-halocarboxylic acid - Carboxamide group - Amino acid - Lactam - Tertiary amine - Secondary carboxylic acid amide - Amidine - Carboximidamide - Organoheterocyclic compound - Azacycle - Carboxylic acid amidine - Carboxylic acid - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Organic oxide - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available