Compound Identification
SMILES
Cl.CN(C)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1OC1C(=O)N[C@@H](CCCCN)C(O)=O
InChIKey
InChIKey=NTWNZCFBROJRNL-OSADGSFMSA-N
Formula
C21H31ClN4O6
Mass
470.95
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
Alpha amino acids and derivatives
- Level 7 Phenylalanine and derivatives
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Level 6
Alpha amino acids and derivatives
-
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
N-acyl-L-alpha-amino acids Alpha amino acid amides Amphetamines and derivatives Medium-chain fatty acids Amino fatty acids Epoxy fatty acids Oxirane carboxylic acids and derivatives Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkyl ethers Organic oxides Carbonyl compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Hydrochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Amphetamine or derivatives - Medium-chain fatty acid - Amino fatty acid - Heterocyclic fatty acid - Epoxy fatty acid - Fatty acyl - Fatty acid - Benzenoid - Monocyclic benzene moiety - Oxirane carboxylic acid or derivatives - Tertiary carboxylic acid amide - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Dialkyl ether - Oxirane - Oxacycle - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary aliphatic amine - Organic oxide - Carbonyl group - Primary amine - 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