Compound Identification
SMILES
CNCC(=O)OCC1=CC=CC=C1.CC1(C)C2CCC1(C)C(=O)C2S(=O)(=O)NCC(O)=O
InChIKey
InChIKey=NWBFGLVBBZHMSC-UHFFFAOYSA-N
Formula
C22H32N2O7S
Mass
468.57
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
Bicyclic monoterpenoids Benzyloxycarbonyls Aromatic monoterpenoids Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alpha-amino acid ester - Aromatic monoterpenoid - Benzyloxycarbonyl - Bornane monoterpenoid - Norbornane monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Aminosulfonyl compound - Carboxylic acid ester - Ketone - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Organosulfur compound - Organonitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic homopolycyclic 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