Compound Identification
SMILES
COC(=O)CNCC1=C(Cl)C=CC(=C1)C#CC1=C(Cl)C=CC(=C1)C1=NN(CCCN2CCOC[C@@H]2C)C2=C1CN(CC2)C(N)=O
InChIKey
InChIKey=UVVJODIXQWJTBA-QFIPXVFZSA-N
Formula
C33H38Cl2N6O4
Mass
653.61
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
-
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
Phenylpyrazoles Phenylmethylamines Benzylamines Aralkylamines Chlorobenzenes Aryl chlorides Morpholines Heteroaromatic compounds Methyl esters Trialkylamines Ureas Dialkylamines Dialkyl ethers Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organochlorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Phenylpyrazole - Benzylamine - Phenylmethylamine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Pyrazole - Heteroaromatic compound - Azole - Methyl ester - Tertiary amine - Urea - Tertiary aliphatic amine - Carboxylic acid ester - Secondary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Dialkyl ether - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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