Compound Identification
SMILES
CCOC1=CC=CC(CC(=O)NC2[C@@H]3SC=C(COC(=O)C(C)C)C(N3C2=O)C(=O)OCC2=CC=CC=C2)=C1
InChIKey
InChIKey=GOOVCHZEPMSRSJ-ONJSCSTBSA-N
Formula
C29H32N2O7S
Mass
552.64
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
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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 - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid esters Benzyloxycarbonyls Phenylacetamides Phenoxy compounds Phenol ethers Alkyl aryl ethers 1,3-thiazines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Beta lactams Thioenol ethers Secondary carboxylic acid amides Azetidines Carboxylic acid esters Thiohemiaminal derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Benzyloxycarbonyl - Phenylacetamide - Phenoxy compound - Phenol ether - Alkyl aryl ether - Meta-thiazine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Beta-lactam - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Thioenolether - Organoheterocyclic compound - Azacycle - Ether - Hemithioaminal - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available