Compound Identification
SMILES
CCOC(=O)CN1CCN(CC1)C(=O)C1(CCN(CCC(CN(C)C(=O)C2=C(OC)C=CC(=C2)N2C=NN=N2)C2=CC(Cl)=C(Cl)C=C2)CC1)C1=CN=CC=C1
InChIKey
InChIKey=VUNFUHCNGXDFLO-UHFFFAOYSA-N
Formula
C39H47Cl2N9O5
Mass
792.76
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 Alpha amino acid esters
-
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
Alpha amino acid esters
Alternative Parents
Phenyltetrazoles and derivatives Benzamides Methoxyanilines Piperidinecarboxamides Anisoles Benzoyl derivatives Dichlorobenzenes Methoxybenzenes Phenoxy compounds Aralkylamines Alkyl aryl ethers N-alkylpiperazines Aryl chlorides Pyridines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Phenyltetrazole - Piperidinecarboxamide - Benzamide - Methoxyaniline - Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Anisole - 1,2-dichlorobenzene - Benzoyl - Methoxybenzene - Alkyl aryl ether - Aralkylamine - N-alkylpiperazine - Halobenzene - Chlorobenzene - Aryl chloride - 1,4-diazinane - Benzenoid - Monocyclic benzene moiety - Aryl halide - Piperazine - Piperidine - Pyridine - Azole - Tetrazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary aliphatic amine - Carboxylic acid ester - Carboxamide group - Tertiary amine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available