Compound Identification
SMILES
COC(=O)CN(CC(CCN1CCC(CC1)C1=CC=CC=C1[S@](C)=O)C1=CC(Cl)=C(Cl)C=C1)C(O)C1=CC=CC2=CC=CC=C12
InChIKey
InChIKey=NEDFEYRJFAQYBM-ZPHVZSEHSA-N
Formula
C36H40Cl2N2O4S
Mass
667.69
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
-
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
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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
-
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
Phenylpiperidines Naphthalenes Phenyl sulfoxides Dichlorobenzenes Aralkylamines Aryl chlorides Methyl esters Trialkylamines Sulfoxides Sulfinyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Alkanolamines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Phenylpiperidine - Naphthalene - Phenyl sulfoxide - 1,2-dichlorobenzene - Aralkylamine - Halobenzene - Chlorobenzene - Benzenoid - Piperidine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Methyl ester - Tertiary aliphatic amine - Tertiary amine - Sulfoxide - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Monocarboxylic acid or derivatives - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic 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