Compound Identification
SMILES
Cl.[Cl-].CCCCN1CN(N2CCN(CC2)C2=CC=C(OCC3COC(CN4C=[N+](C=N4)C(C)OC(=O)N(C)C4=C(COC(=O)CNC)C=CC=N4)(O3)C3=C(Cl)C=C(Cl)C=C3)C=C2)C(=O)N1
InChIKey
InChIKey=BTQNRQKVPVUDTK-UHFFFAOYSA-N
Formula
C42H55Cl4N11O8
Mass
983.77
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
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Level 5
Amino acids and derivatives
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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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
Phenylpiperazines N-arylpiperazines Aminophenyl ethers Dialkylarylamines Dichlorobenzenes Phenoxy compounds Aniline and substituted anilines Ketals Alkyl aryl ethers Imidolactams Pyridines and derivatives Aryl chlorides Triazolidinones Triazoles Heteroaromatic compounds Carbamate esters Semicarbazides 1,3-dioxolanes Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic chloride salts Organic oxides Organic zwitterions Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - N-arylpiperazine - Phenylpiperazine - Aminophenyl ether - Tertiary aliphatic/aromatic amine - Phenoxy compound - Dialkylarylamine - Phenol ether - Aniline or substituted anilines - 1,3-dichlorobenzene - Alkyl aryl ether - Ketal - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Imidolactam - Piperazine - Monocyclic benzene moiety - Pyridine - Benzenoid - 1,4-diazinane - Meta-dioxolane - Azole - Heteroaromatic compound - Semicarbazide - Carbamic acid ester - 1,2,4-triazole - Triazolidine - 1,2,4-triazolidinone - Tertiary amine - Carboxylic acid ester - Secondary amine - Acetal - Organoheterocyclic compound - Secondary aliphatic amine - Oxacycle - Azacycle - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Organic salt - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organic chloride salt - Organic zwitterion - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrochloride - 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