Compound Identification
SMILES
C[C@H](NC(=O)C[C@H](N(C1=CC=C(OC2CCN(CC2)C(C)=N)C=C1)S(=O)(=O)CC(O)=O)C1=NC2=C(N1)C=C(C=C2)C(N)=N)C1=CC=CC=C1
InChIKey
InChIKey=SOVCGUZQABBAFI-JRPXNJEYSA-N
Formula
C34H40N8O6S
Mass
688.8
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
Sulfanilides Benzimidazoles Phenoxy compounds Phenol ethers Alkyl aryl ethers Piperidines Organosulfonamides Organic sulfonamides Fatty amides Aminosulfonyl compounds Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carboxamidines Carboxylic acids Carboximidamides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Sulfanilide - Benzimidazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Piperidine - Monocyclic benzene moiety - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Fatty amide - Fatty acyl - Sulfonyl - Aminosulfonyl compound - Imidazole - Azole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Amidine - Azacycle - Carboxylic acid amidine - Carboxylic acid - Ether - Organoheterocyclic compound - Carboximidamide - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - 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