Compound Identification
SMILES
CCCCCCCCCCCCS(O)(=O)=O.CN(CC[C@H](N)CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(O)=O)N1C=CC(N)=NC1=O)C(N)=N
InChIKey
InChIKey=XMQMFOLSEQRNIY-NMQKUDMSSA-N
Formula
C29H52N8O8S
Mass
672.84
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 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
Pyrimidones Aminopyrimidines and derivatives Pyrans N-acyl amines Imidolactams Hydropyrimidines Sulfonyls Alkanesulfonic acids Organosulfonic acids Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Guanidines Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboximidamides Carboxylic acids Organic oxides Carbonyl compounds Monoalkylamines Imines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Beta amino acid or derivatives - Aminopyrimidine - Pyrimidone - Fatty amide - Hydropyrimidine - N-acyl-amine - Pyran - Pyrimidine - Imidolactam - Fatty acyl - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Amino acid - Guanidine - Carboximidamide - Oxacycle - Azacycle - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Primary aliphatic amine - Imine - Organic nitrogen compound - Organonitrogen compound - Amine - Organooxygen compound - Organosulfur compound - Primary amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic 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