Compound Identification
SMILES
CO\N=C(/C(=O)N[C@H]1CN2CC(C(=O)OCC3=CC=CC=C3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1
InChIKey
InChIKey=XFMNHMLQSNVIFM-VAOUYBGWSA-N
Formula
C21H20N6O7S
Mass
500.49
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
-
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
N-acyl-alpha amino acids and derivatives
Alternative Parents
Benzyloxycarbonyls 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Dicarboxylic acids and derivatives Pyrazolidinones Heteroaromatic compounds Enoate esters Pyrazolines Secondary carboxylic acid amides Carboxylic acid hydrazides Amino acids Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Benzyloxycarbonyl - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - Benzenoid - Pyrazolidinone - Azole - Heteroaromatic compound - Pyrazolidine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Pyrazoline - Amino acid - Carboxamide group - Carboxylic acid ester - Carboxylic acid hydrazide - Secondary carboxylic acid amide - Azacycle - Carboxylic acid - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available