Compound Identification
SMILES
CC1CC(NC1C1=NC(=CS1)C1=NC(=CS1)C1=C(C=CC(=N1)C1=NC(=CS1)C(O)=O)C1=NC(C(=O)NC(CC(N)=O)C2=NC(=CS2)C(O)=O)=C(C)O1)OC1=CC=CC=C1
InChIKey
InChIKey=NHWYHEHXSIUAGG-UHFFFAOYSA-N
Formula
C38H31N9O8S4
Mass
869.96
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
Thiazolecarboxylic acids and derivatives 2-heteroaryl carboxamides 2,4,5-trisubstituted oxazoles Phenol ethers Phenoxy compounds 2,4-disubstituted thiazoles Fatty amides Pyridines and derivatives Pyrrolidines Heteroaromatic compounds Amino acids Secondary carboxylic acid amides Primary carboxylic acid amides Oxacyclic compounds Secondary amines Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - 2-heteroaryl carboxamide - 2,4,5-trisubstituted 1,3-oxazole - Phenoxy compound - Thiazolecarboxylic acid or derivatives - Phenol ether - 2,4-disubstituted 1,3-thiazole - Pyridine - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Azole - Thiazole - Oxazole - Pyrrolidine - Heteroaromatic compound - Amino acid - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Azacycle - Oxacycle - Carboxylic acid - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - 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