Compound Identification
SMILES
CC(C)(C)OC(=O)N1[C@@H](CS[C@@H]1C1=CC=CC=C1)C(=O)N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)O[N+]([O-])=O
InChIKey
InChIKey=PQXLTLBSQSKZQB-SQZHQNNWSA-N
Formula
C21H27N3O8S
Mass
481.52
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Furofurans Benzene and substituted derivatives Thiazolidines Oxolanes Alkyl nitrates Carbamate esters Secondary carboxylic acid amides Organic nitro compounds Organic nitric acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Dialkylthioethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Furofuran - Monocyclic benzene moiety - Benzenoid - Organic nitrate - Oxolane - Thiazolidine - Carbamic acid ester - Alkyl nitrate - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - Organic nitric acid or derivatives - Oxacycle - Dialkylthioether - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Thioether - Organoheterocyclic compound - Dialkyl ether - Ether - Organic salt - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic zwitterion - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available