Compound Identification
SMILES
COC1CN(C(=O)CCNC(CCCCC(O)=O)OC(=O)CCCCC(CCSCC2=CC=CC=C2)SCC2=CC=CC=C2)C(=O)C1
InChIKey
InChIKey=MCXQFNLRQVJPPB-UHFFFAOYSA-N
Formula
C36H50N2O7S2
Mass
686.92
Taxonomic Classification
Taxonomy Tree
-
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
- 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
N-acylpyrrolidines Fatty acid esters Benzene and substituted derivatives Pyrrolidine-2-ones N-substituted carboxylic acid imides Dicarboxylic acids and derivatives Dicarboximides Tertiary amines Amino acids Carboxylic acid esters Lactams Sulfenyl compounds Azacyclic compounds Secondary amines Dialkylthioethers Dialkyl ethers Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - N-acylpyrrolidine - Fatty acid ester - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Carboxylic acid imide, n-substituted - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Pyrrolidine - Carboxylic acid imide - Dicarboximide - Carboxylic acid ester - Tertiary amine - Amino acid - Lactam - Carboxylic acid - Dialkyl ether - Azacycle - Organoheterocyclic compound - Ether - Dialkylthioether - Sulfenyl compound - Thioether - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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