Compound Identification
SMILES
CC(C)C(N)C(=O)O[C@@H](C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]1[C@@H](CC2=CC=CC=C12)OC(=O)C(N)C(C)C)CN1CCN(CC2=CN=CC=C2)C[C@H]1C(=O)NC(C)(C)C
InChIKey
InChIKey=LSZVPYMYZVWLAH-NCLAFEKKSA-N
Formula
C46H65N7O6
Mass
812.069
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 Alpha amino acid amides Indanes Piperazine carboxamides Aralkylamines N-alkylpiperazines Fatty acid esters N-acyl amines Dicarboxylic acids and derivatives Benzene and substituted derivatives Pyridines and derivatives Heteroaromatic compounds Trialkylamines Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - Alpha-amino acid amide - Indane - Piperazine-2-carboxamide - Fatty acid ester - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Piperazine - Pyridine - Benzenoid - Fatty acyl - Heteroaromatic compound - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organic oxide - Amine - Primary amine - Hydrocarbon derivative - Primary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - 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