Compound Identification
SMILES
CS[C@@H]([C@@H](NC[C@H](NC(=O)OC(C)(C)C)C(N)=O)C1=CC=CC=N1)C(=O)N1[C@H](C)[C@@H](OC1=O)C1=CC=CC=C1
InChIKey
InChIKey=OECLXUJTLYYTOI-UGTAXJHQSA-N
Formula
C27H35N5O6S
Mass
557.67
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 and derivatives Aralkylamines Pyridines and derivatives Oxazolidinones Benzene and substituted derivatives Carbamate esters Dicarboximides Heteroaromatic compounds Primary carboxylic acid amides Dialkylthioethers Dialkylamines Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Aralkylamine - Monocyclic benzene moiety - Oxazolidinone - Pyridine - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Oxazolidine - Dicarboximide - Primary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Secondary amine - Oxacycle - Azacycle - Secondary aliphatic amine - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - 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