Compound Identification
SMILES
CC(C)CN1C(N)=C(C(=O)COC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+]([O-])=O)C(=O)N(C)C1=O
InChIKey
InChIKey=IPIPUCWCHBUGIC-UHFFFAOYSA-N
Formula
C21H21N5O9
Mass
487.425
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
Indolyl carboxylic acids and derivatives Phthalimides Indoles Isoindoles Aryl alkyl ketones Nitroaromatic compounds Pyrimidones Alpha-acyloxy ketones Aminopyrimidines and derivatives Benzenoids Hydropyrimidines N-substituted carboxylic acid imides Vinylogous amides Heteroaromatic compounds Ureas Lactams Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic salts Organic zwitterions Organic oxides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Indolyl carboxylic acid derivative - Phthalimide - Isoindolone - Indole - Isoindoline - Isoindole - Isoindole or derivatives - Nitroaromatic compound - Aryl ketone - Aryl alkyl ketone - Aminopyrimidine - Pyrimidone - Alpha-acyloxy ketone - Hydropyrimidine - Carboxylic acid imide, n-substituted - Pyrimidine - Benzenoid - Vinylogous amide - Carboxylic acid imide - Heteroaromatic compound - Urea - Carboxylic acid ester - C-nitro compound - Lactam - Ketone - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic salt - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Organic oxygen compound - Organic zwitterion - 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