Compound Identification
SMILES
CC1(CN2N=NC=C2C(=O)OCC2=CC=C(C=C2)[N+]([O-])=O)SC2CC(=O)N2C1C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=HNHRFCQECVEONR-UHFFFAOYSA-N
Formula
C25H22N6O9S
Mass
582.54
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
Benzyloxycarbonyls Nitrobenzenes Penams Nitroaromatic compounds Triazoles Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Carboxylic acid esters Azacyclic compounds Thiohemiaminal derivatives Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Penam - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Beta-lactam - Tertiary carboxylic acid amide - Thiazolidine - 1,2,3-triazole - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - C-nitro compound - Organic nitro compound - Dialkylthioether - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Azacycle - Organic salt - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic zwitterion - Organooxygen compound - 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