Compound Identification
SMILES
COC(=O)[C@@H]1CCCN1C(=O)OC[N+]1=CC=CC(=C1)[C@H]1SCC2=C(C=CN12)C(=O)C1=CN(C(=O)N(C)C)C2=C1C=CC(=C2)C1=CC=C(F)C=C1
InChIKey
InChIKey=ITDXVVWKISTTTD-BFGHFXMOSA-N
Formula
C37H35FN5O6S
Mass
696.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
-
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
Proline and derivatives Indolecarboxamides and derivatives Indoles Aryl ketones Pyrrolidine carboxylic acids Pyrrole carboxamides Fluorobenzenes Substituted pyrroles Aryl fluorides Pyridinium derivatives Methyl esters Heteroaromatic compounds Carbamate esters Vinylogous amides Ureas Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Proline or derivatives - Indolecarboxamide derivative - Indolecarboxylic acid derivative - Indole - Indole or derivatives - Pyrrole-1-carboxamide - Pyrrole-1-carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aryl ketone - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Pyridine - Pyridinium - Aryl fluoride - Aryl halide - Substituted pyrrole - Pyrrole - Methyl ester - Carbamic acid ester - Vinylogous amide - Pyrrolidine - Heteroaromatic compound - Urea - Carboxylic acid ester - Ketone - Azacycle - Dialkylthioether - Thioether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic cation - 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