Compound Identification
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O.COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)N=C(N=C1OCCO)C1=NC=CC=N1
InChIKey
InChIKey=NZVSOYSTPNIWAG-HGNFKMEKSA-N
Formula
C49H60N8O11S
Mass
969.12
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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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
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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
Bipyrimidines and oligopyrimidines Diarylethers Benzenesulfonamides Phenylpropanes Benzenesulfonyl compounds Phenoxy compounds Anisoles Methoxybenzenes 1,2-diazepanes Alkyl aryl ethers Aralkylamines Fatty acid esters Pyridazines and derivatives Organosulfonamides Imidolactams Dicarboxylic acids and derivatives Diazinanes Heteroaromatic compounds Aminosulfonyl compounds Carboxylic acid esters Amino acids Carboxylic acid hydrazides Azacyclic compounds Carboxylic acids Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Not available
Substituents
Alpha-amino acid ester - Bipyrimidine - Diaryl ether - Benzenesulfonamide - Benzenesulfonyl group - Phenylpropane - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - 1,2-diazepane - Alkyl aryl ether - Fatty acid ester - Aralkylamine - Diazepane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,2-diazinane - Fatty acyl - Imidolactam - Organosulfonic acid amide - Benzenoid - Pyrimidine - Pyridazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Aminosulfonyl compound - Amino acid - Carboxylic acid ester - Carboxylic acid hydrazide - Ether - Azacycle - Organoheterocyclic compound - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Alcohol - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Amine - Organic nitrogen compound - Primary alcohol - Organosulfur 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