Compound Identification
SMILES
COC1=C(C)C2=C(OCO2)C2=C1C(O)CN([C@H]2COC(=O)[C@H](CS)NC(=O)OCC=C)C(=O)OC(C)(C)C
InChIKey
InChIKey=PTFPKPKWXFCRLY-KSCSMHSMSA-N
Formula
C25H34N2O10S
Mass
554.61
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
-
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
Cysteine and derivatives Tetrahydroisoquinolines Benzodioxoles Anisoles Alkyl aryl ethers Carbamate esters Secondary alcohols Carboxylic acid esters Acetals Oxacyclic compounds Alkylthiols Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Cysteine or derivatives - Tetrahydroisoquinoline - Benzodioxole - Anisole - Alkyl aryl ether - Benzenoid - Carbamic acid ester - Carboxylic acid ester - Secondary alcohol - Acetal - Alkylthiol - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen 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