Compound Identification
SMILES
CCOC(=O)CN1C(SC2=C1C=CC(=C2)[N+]([O-])=O)=NC(=O)C1=CC=C(C=C1)S(=O)(=O)N1CCC2=CC=CC=C2C1
InChIKey
InChIKey=PIRXUAQMBHXPEZ-UHFFFAOYSA-N
Formula
C27H24N4O7S2
Mass
580.63
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
-
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
Tetrahydroisoquinolines Benzenesulfonamides Benzenesulfonyl compounds Benzoic acids and derivatives Benzothiazoles Benzoyl derivatives Nitroaromatic compounds Organosulfonamides Thiazoles Sulfonyls Heteroaromatic compounds Carboxylic acid esters Isothioureas Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Carbonyl compounds Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Tetrahydroisoquinoline - Benzenesulfonamide - 1,3-benzothiazole - Benzoic acid or derivatives - Benzenesulfonyl group - Nitroaromatic compound - Benzoyl - Organosulfonic acid amide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azole - Organic nitro compound - Carboxylic acid ester - Isothiourea - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic salt - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen 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