Compound Identification
SMILES
COC(=O)C(C)NP(=O)(OCC12CO[C@@H]([C@@H](O1)N1C=C(C)C(=O)NC1=O)[C@@H]2N=[N+]=[N-])OC1=CC=CC=C1
InChIKey
InChIKey=CTHMIDLEUPWZBZ-PBXROXDXSA-N
Formula
C21H25N6O9P
Mass
536.438
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
-
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
Alanine and derivatives Phosphoric diester monoamides Phenoxy compounds Pyrimidones 1,4-dioxanes Organic phosphoramides Monosaccharides Hydropyrimidines Vinylogous amides Oxolanes Heteroaromatic compounds Methyl esters Ureas Azo compounds Azo imides Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organic zwitterions Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Alanine or derivatives - Phenoxy compound - Phosphoric diester monoamide - Pyrimidone - Para-dioxane - Monocyclic benzene moiety - Hydropyrimidine - Monosaccharide - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Organic phosphoric acid amide - Benzenoid - Heteroaromatic compound - Oxolane - Vinylogous amide - Methyl ester - Azo compound - Urea - Azo imide - Carboxylic acid ester - Lactam - Organoheterocyclic compound - Azacycle - Oxacycle - Dialkyl ether - Monocarboxylic acid or derivatives - Ether - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Aromatic heteropolycyclic 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