Compound Identification
SMILES
COC(=O)CNC(=O)C1=NC(NC(=O)C2=NC(NC(=O)C3=NC(NC(=O)CCC(=O)NC4=CC5=C(OCC6=CC=CC=C6)C=C6N(CC(CCl)C6=C5C=C4)C(=O)OC(C)(C)C)=CN3C)=CN2C)=CN1C
InChIKey
InChIKey=VAKGBYXTFHEIJT-UHFFFAOYSA-N
Formula
C47H51ClN12O10
Mass
979.45
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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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 Indolecarboxylic acids Naphthalenes 1,2,4-trisubstituted imidazoles Phenol ethers 2-heteroaryl carboxamides N-arylamides Imidazolyl carboxylic acids and derivatives Alkyl aryl ethers N-substituted imidazoles Benzene and substituted derivatives Fatty amides Imidolactams Heteroaromatic compounds Carbamate esters Methyl esters Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Indolecarboxylic acid - Indolecarboxylic acid derivative - Naphthalene - Indole or derivatives - 2-heteroaryl carboxamide - 1,2,4-trisubstituted-imidazole - Phenol ether - Imidazolyl carboxylic acid derivative - Trisubstituted imidazole - N-arylamide - Alkyl aryl ether - Benzenoid - Imidolactam - Fatty acyl - Fatty amide - N-substituted imidazole - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Imidazole - Methyl ester - Carbamic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Ether - Monocarboxylic acid or derivatives - Alkyl chloride - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Organooxygen compound - Alkyl halide - Organic oxide - 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