Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CC1=CC=C(C=C1)S(O)(=O)=O.COC1=CC2=NC=CC(OC3=CN=C(NC(=O)C4=C(C)N(C[C@@H](C)OC(=O)[C@H](C)N)N(C4=O)C4=CC=CC=C4)C=C3)=C2C=C1
InChIKey
InChIKey=BNHUDXHXDSSQNA-AAYDIPMQSA-N
Formula
C46H48N6O12S2
Mass
941.04
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
p-Methylbenzenesulfonates Diarylethers Alanine and derivatives Phenylpyrazoles Tosyl compounds Quinolines and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Anisoles Pyrazole-4-carboxamides Alkyl aryl ethers Pyridines and derivatives Imidolactams Pyrazolones Vinylogous amides Heteroaromatic compounds Sulfonyls Organosulfonic acids Lactams Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Not available
Substituents
Alpha-amino acid ester - Alanine or derivatives - Diaryl ether - Phenylpyrazole - P-methylbenzenesulfonate - Quinoline - Benzenesulfonate - Tosyl compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Anisole - Pyrazole-4-carboxamide - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Pyrazolinone - Pyridine - Imidolactam - Benzenoid - Organic sulfonic acid or derivatives - Vinylogous amide - Sulfonyl - Organosulfonic acid - Pyrazole - Organosulfonic acid or derivatives - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Ether - Organic oxide - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Amine - 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