Compound Identification
SMILES
CCCOC(=O)C(NCC1=CC=CC=C1)C1SC\C(=C/C=C2/C=C(CC(Cl)=O)C(=C)[CH+]C2=C)C(=N1)C(O)=O
InChIKey
InChIKey=XTVQZOMEIFVOGX-PANSPLHPSA-O
Formula
C29H30ClN2O5S
Mass
554.08
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
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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
Phenylmethylamines M-quinodimethanes Benzylamines Aralkylamines 1,3-thiazines Dicarboxylic acids and derivatives Amino acids Ketimines Carboxylic acid esters Acyl chlorides Azacyclic compounds Dialkylthioethers Dialkylamines Carboxylic acids Organic oxides Carbonyl compounds Organochlorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - M-quinodimethane - Benzylamine - Phenylmethylamine - Aralkylamine - Meta-thiazine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Ketimine - Carboxylic acid ester - Amino acid - Secondary amine - Azacycle - Acyl halide - Acyl chloride - Carboxylic acid - Secondary aliphatic amine - Thioether - Organoheterocyclic compound - Dialkylthioether - Organic nitrogen compound - Organic oxygen compound - Imine - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic cation - 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