Compound Identification
SMILES
NC(CS(O)(=O)=O)C(O)=O.COC1=C(OC)C=C(C=C1)C(CC(N)=O)N1CC2=CC=CC=C2C1=O
InChIKey
InChIKey=UHVPRWVVZLRCSQ-UHFFFAOYSA-N
Formula
C22H27N3O9S
Mass
509.53
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
-
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
Alpha amino acids Isoindolones Dimethoxybenzenes Isoindoles Phenoxy compounds Anisoles Alkyl aryl ethers Fatty amides Tertiary carboxylic acid amides Sulfonyls Organosulfonic acids Alkanesulfonic acids Primary carboxylic acid amides Lactams Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Monoalkylamines Carbonyl compounds
Molecular Framework
Not available
Substituents
Beta amino acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Isoindolone - Alpha-amino acid or derivatives - Alpha-amino acid - Isoindoline - Isoindole - Isoindole or derivatives - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Alkanesulfonic acid - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Lactam - Carboxamide group - Primary carboxylic acid amide - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Amine - Organic oxide - Primary amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - 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