Compound Identification
SMILES
COC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)N1C=NC2=C1N=C(NC(=O)C(C)C)N=C2OCCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=CLCGWPQLAGXGQT-PMACEKPBSA-N
Formula
C28H35N7O8
Mass
597.629
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
Proline and derivatives Hypoxanthines Nitrobenzenes N-arylamides Nitroaromatic compounds Pyrrolidine carboxylic acids Alkyl aryl ethers N-substituted imidazoles Pyrimidines and pyrimidine derivatives Carbamate esters Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Proline or derivatives - Hypoxanthine - Imidazopyrimidine - Nitrobenzene - Purine - Nitroaromatic compound - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - N-arylamide - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Methyl ester - Azole - Carbamic acid ester - Pyrrolidine - Imidazole - Organic nitro compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic zwitterion - Organonitrogen compound - 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