Compound Identification
SMILES
COC(C(N)=NC1C2SCC(C[N+]3(C)C=CC=C3)=C(N2C1=O)C([O-])=O)C1=CN=C(N)S1
InChIKey
InChIKey=MMYDBLWEJIZORG-UHFFFAOYSA-N
Formula
C19H22N6O4S2
Mass
462.54
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
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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
Cephems 2,5-disubstituted thiazoles 1,3-thiazines 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Quaternary ammonium salts Heteroaromatic compounds Amino acids Azetidines Carboxylic acid salts Thiohemiaminal derivatives Propargyl-type 1,3-dipolar organic compounds Allylamines Azacyclic compounds Carboxamidines Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Dialkylthioethers Dialkyl ethers Organic salts Organic zwitterions Organic oxides Carbonyl compounds Organopnictogen compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Cephem - 2,5-disubstituted 1,3-thiazole - Meta-thiazine - 1,3-thiazol-2-amine - Azole - Beta-lactam - Quaternary ammonium salt - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Azetidine - Carboxamide group - Carboxylic acid salt - Amino acid - Lactam - Carboximidamide - Hemithioaminal - Thioether - Organoheterocyclic compound - Azacycle - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allylamine - Monocarboxylic acid or derivatives - Carboxylic acid amidine - Ether - Dialkyl ether - Amidine - Carboxylic acid - Organic salt - Organopnictogen compound - Organic oxygen compound - Amine - Carbonyl group - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Primary amine - 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