Compound Identification
SMILES
CON=C(C(O)=NC1C2SCC(C[NH+]3CC=C(C=C3)C3=CN=CO3)=C(N2C1=O)C(O)=O)C1=CSC(=N)N1
InChIKey
InChIKey=ADGUEUOHDHTQEF-UHFFFAOYSA-O
Formula
C22H22N7O6S2
Mass
544.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
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Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
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 - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Alpha amino acid amides Cephems Thia fatty acids Dihydropyridines 1,3-thiazines Thiazolines Thiazoles Tertiary carboxylic acid amides Oxazoles N,S-acetals Heteroaromatic compounds Azetidines Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Carboximidic acids Carboximidamides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Imines Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Alpha-amino acid amide - Cephem - Thia fatty acid - Dihydropyridine - Fatty acyl - Hydropyridine - Meta-thiazine - Heteroaromatic compound - N,s-acetal - Meta-thiazoline - Thiazole - Tertiary carboxylic acid amide - Oxazole - Beta-lactam - Azole - Lactam - Carboxamide group - Azetidine - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Carboximidamide - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Imine - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available