Compound Identification
SMILES
COC(=O)[C@H]1CCCN1C(=O)C1=C[C@@H](NC(=O)C2=C(Br)C=CC(OC)=C2)[C@@H](O)[C@H](O)C1
InChIKey
InChIKey=UWVUUZCGKZDKTK-BRSBDYLESA-N
Formula
C21H25BrN2O7
Mass
497.342
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
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
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Level 7
N-acyl-alpha amino acids and derivatives
-
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 - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Alpha amino acid esters Proline and derivatives 2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Methoxybenzenes Anisoles N-acylpyrrolidines Phenoxy compounds Pyrrolidine carboxylic acids Alkyl aryl ethers Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Vinylogous halides Methyl esters Secondary carboxylic acid amides 1,2-diols Secondary alcohols Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organobromides Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha-amino acid - Alpha-amino acid ester - Proline or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Pyrrolidine carboxylic acid - Methoxybenzene - Phenol ether - Benzoyl - Anisole - Phenoxy compound - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Bromobenzene - Halobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl bromide - Vinylogous halide - Methyl ester - Tertiary carboxylic acid amide - Pyrrolidine - 1,2-diol - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Azacycle - Ether - Monocarboxylic acid or derivatives - Organobromide - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available