Compound Identification
SMILES
CSCC[C@H](NC(=O)NC(CC1=CC(O)=CC=C1)C(O)=O)C(=O)N(\C=C1/CC(O)C(O1)N1C=CC(=O)NC1=O)C(=O)C(N)C(C)N(C)C(=O)[C@@H](N)CC1=CC(O)=CC=C1
InChIKey
InChIKey=HWCWBPUPNDMKIV-TVJJXTFASA-N
Formula
C38H48N8O12S
Mass
840.91
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
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Level 6
Alpha amino acids and derivatives
- Level 7 Phenylalanine and derivatives
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Phenylalanine and derivatives
Alternative Parents
Methionine and derivatives N-carbamoyl-alpha amino acids Alpha amino acid amides Phenylpropanoic acids Amphetamines and derivatives Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyrimidones Hydropyrimidines N-substituted carboxylic acid imides N-acyl amines Tertiary carboxylic acid amides Tetrahydrofurans Vinylogous amides Heteroaromatic compounds Dicarboximides Lactams Amino acids Secondary alcohols Ureas Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Organic oxides Carbonyl compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Methionine or derivatives - N-carbamoyl-alpha-amino acid or derivatives - N-carbamoyl-alpha-amino acid - Alpha-amino acid amide - 3-phenylpropanoic-acid - Amphetamine or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyrimidone - Phenol - Aralkylamine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - N-acyl-amine - Carboxylic acid imide, n-substituted - Hydropyrimidine - Tetrahydrofuran - Carboxylic acid imide - Vinylogous amide - Tertiary carboxylic acid amide - Dicarboximide - Heteroaromatic compound - Secondary alcohol - Urea - Lactam - Amino acid - Carboxamide group - Carbonic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Dialkylthioether - Sulfenyl compound - Thioether - Primary aliphatic amine - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Organic oxide - Primary amine - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available