Compound Identification
SMILES
COC(=O)[C@@H]1C(=O)C2=C(N(N=C2SC)C2=CC=CC=C2)N2C(=O)C(NC3=C(C#N)C(SC)=NN3C3=CC=CC=C3)=C(C(=O)OC)[C@]12C(=O)OC
InChIKey
InChIKey=POOFKBKNGIFUJP-ULKXQASOSA-N
Formula
C33H27N7O8S2
Mass
713.74
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
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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 Tricarboxylic acids and derivatives Pyrroline carboxylic acids Aryl alkyl ketones Alkylarylthioethers Vinylogous thioesters 1,3-dicarbonyl compounds Benzene and substituted derivatives Vinylogous amides Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds Enoate esters Lactams Sulfenyl compounds Nitriles Enamines Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Phenylpyrazole - Tricarboxylic acid or derivatives - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Aryl thioether - Aryl ketone - Aryl alkyl ketone - Alkylarylthioether - Vinylogous thioester - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Heteroaromatic compound - Pyrroline - Azole - Vinylogous amide - Tertiary carboxylic acid amide - Pyrazole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxamide group - Carboxylic acid ester - Lactam - Ketone - Enamine - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Sulfenyl compound - Thioether - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - 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