Compound Identification
SMILES
CNC(=O)OCC1=CC(C)=C(OC(=O)CNC(=O)OCCCCCOC(=O)NCCOCCOCCN2C(=O)CC(SC)C2=O)C(C)=C1
InChIKey
InChIKey=OQFPUUGISMKWKQ-UHFFFAOYSA-N
Formula
C31H46N4O12S
Mass
698.79
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
-
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
Benzyloxycarbonyls Phenol esters m-Xylenes Phenoxy compounds Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Carbamate esters Dicarboximides Tertiary amines Carboxylic acid esters Lactams Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Dialkyl ethers Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Benzyloxycarbonyl - Phenol ester - Phenoxy compound - M-xylene - Xylene - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Benzenoid - N-alkylpyrrolidine - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Carbamic acid ester - Tertiary amine - Carboxylic acid ester - Lactam - Dialkylthioether - Organoheterocyclic compound - Sulfenyl compound - Azacycle - Thioether - Dialkyl ether - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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