Compound Identification
SMILES
COC1=CC=C(CN(CC2=CC=CC=C2)[C@@H](C(C)C)C(=O)OCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=MBROKTUTFOOSEY-SANMLTNESA-N
Formula
C27H31NO3
Mass
417.549
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
-
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 Benzyloxycarbonyls Anisoles Benzylamines Methoxybenzenes Phenoxy compounds Phenylmethylamines Fatty acid esters Aralkylamines Alkyl aryl ethers Carboxylic acid esters Trialkylamines Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - Benzyloxycarbonyl - Phenoxy compound - Anisole - Benzylamine - Methoxybenzene - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Ether - Organonitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Aromatic homomonocyclic 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