Compound Identification
SMILES
CC1=CC(O)=CC(C)=C1C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N[C@@H](CC1=NC2=CC=CC=C2N1)C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=XUYSDJNSOYGBOT-FSEITFBQSA-N
Formula
C43H47N5O7
Mass
745.877
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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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
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid esters Alpha amino acid amides Tetrahydroisoquinolines Amphetamines and derivatives Benzyloxycarbonyls Benzimidazoles m-Xylenes Meta cresols 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters Tertiary carboxylic acid amides Imidazoles Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Benzyloxycarbonyl - Tetrahydroisoquinoline - Benzimidazole - M-xylene - Xylene - M-cresol - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Imidazole - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available