Compound Identification
SMILES
CCC(=O)C1=C(C(OC(=O)C(N)C(C)C)C(COC(=O)C(N)C(C)C)OCC(O)=O)C([C@H]2C[C@H]2NC(=O)NC2=NC=C(Br)C=C2)=C(F)C=C1
InChIKey
InChIKey=RPWWEACGQYBWEN-QAXYZQOHSA-N
Formula
C33H43BrFN5O9
Mass
752.635
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
Valine and derivatives Alkyl-phenylketones Benzyloxycarbonyls Tricarboxylic acids and derivatives Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Fatty acid esters Fluorobenzenes Imidolactams Aryl fluorides Aryl bromides Pyridines and derivatives Heteroaromatic compounds Amino acids Ureas Carboxylic acid esters Dialkyl ethers Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organobromides Organofluorides Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - Alkyl-phenylketone - Benzyloxycarbonyl - Phenylketone - Phenylpropane - Tricarboxylic acid or derivatives - Aryl ketone - Benzoyl - Aryl alkyl ketone - Halobenzene - Fluorobenzene - Fatty acid ester - Aryl bromide - Aryl fluoride - Aryl halide - Pyridine - Monocyclic benzene moiety - Imidolactam - Fatty acyl - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Urea - Ketone - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid - Dialkyl ether - Ether - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Primary aliphatic amine - 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