Compound Identification
SMILES
CCCC1N2CCC(N)(CC3=CC=C(C)C=C3)C(=O)N2C(C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(O)C(=O)NCC2=CC=C(C=C2)C(N)=O)=C1S(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=BBWYFGKQIGOPGH-VBTRYNEHSA-N
Formula
C46H61N7O9S
Mass
888.09
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 Beta amino acids and derivatives
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Level 5
Amino acids and derivatives
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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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Tosyl compounds Alpha amino acids and derivatives Benzamides Benzenesulfonyl compounds Benzoyl derivatives Aralkylamines Pyridazines and derivatives Diazinanes N-acyl amines Monosaccharides Sulfones Pyrazolines Carbamate esters Carboxylic acid hydrazides Primary carboxylic acid amides Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Alpha-amino acid or derivatives - Tosyl compound - Benzamide - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoyl - Aralkylamine - Toluene - N-acyl-amine - Benzenoid - Monocyclic benzene moiety - 1,2-diazinane - Fatty amide - Pyridazine - Monosaccharide - Fatty acyl - Carbamic acid ester - Sulfonyl - Sulfone - Pyrazoline - Carboxamide group - Carboxylic acid hydrazide - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Primary aliphatic amine - Amine - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available