Compound Identification
SMILES
CCOC(=O)[C@H](C(C)C)N1CN=C(N[N+]([O-])=O)N(CC2=CN=C(Cl)S2)C1
InChIKey
InChIKey=NVKSJJINQXHYJD-NSHDSACASA-N
Formula
C14H21ClN6O4S
Mass
404.87
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
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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
Valine and derivatives 2,5-disubstituted thiazoles Nitroguanidines Fatty acid esters 1,3,5-triazines Aryl chlorides Nitramines Heteroaromatic compounds Tertiary amines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboximidamides Hydrocarbon derivatives Imines Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - 2,5-disubstituted 1,3-thiazole - Nitroguanidine - Fatty acid ester - Aryl chloride - Aryl halide - Triazine - Fatty acyl - 1,3,5-triazine - Heteroaromatic compound - Azole - Thiazole - Nitramine - Organic nitro compound - Tertiary amine - Carboxylic acid ester - Guanidine - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organochloride - Imine - Organonitrogen compound - Organic oxide - Organooxygen compound - Carbonyl group - Amine - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Aromatic heteromonocyclic 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