Compound Identification
SMILES
CC1=NC2=CC=CC=C2C(COC2=CC=C(C=C2)S(=O)(=O)NC[C@@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)=C1
InChIKey
InChIKey=IVLLKNCAVYHIFI-XMMPIXPASA-N
Formula
C25H31N5O7S2
Mass
577.67
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
-
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
Alpha amino acids and derivatives Quinolines and derivatives Benzenesulfonamides N-piperazineacetamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Methylpyridines N-alkylpiperazines Organic sulfonamides Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Hydroxamic acids Trialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Alpha-amino acid or derivatives - Quinoline - Benzenesulfonamide - N-piperazineacetamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Methylpyridine - N-alkylpiperazine - Benzenoid - 1,4-diazinane - Piperazine - Pyridine - Monocyclic benzene moiety - Organosulfonic acid amide - Organic sulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Hydroxamic acid - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Ether - Azacycle - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - 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