Compound Identification
SMILES
CC[N+]1=C(\C=C\C=C\C=C2\N(CCCCCCC(=O)NCCCC[C@@H](NC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)OCC3=CC=CC=C3)C(=O)COC(=O)NC(=O)C3CCN(CC3)S(=O)(=O)C3=CC=CC=C3C3=C4C=CC(=CC4=[O+]C4=C3C=CC(=C4)N3CCC4=CC=CC=C34)N3CCC4=CC=CC=C34)C3=C(C=C(C=C3)S([O-])(=O)=O)C2(C)C)C(C)(C)C2=C1C=CC(=C2)S([O-])(=O)=O
InChIKey
InChIKey=NHFZXXQVIASEQR-IORVGHRDSA-N
Formula
C100H105N9O17S3
Mass
1801.17
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
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Subclass
Amino acids, peptides, and analogues
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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
Xanthenes Alkyldiarylamines Alpha amino acid amides 3-alkylindoles Amphetamines and derivatives Benzenesulfonamides Benzyloxycarbonyls 1-sulfo,2-unsubstituted aromatic compounds Piperidinecarboxamides Benzenesulfonyl compounds Aralkylamines Organosulfonamides Monosaccharides N-acyl amines Heteroaromatic compounds Dicarboximides Carbamate esters Sulfonyls Organosulfonic acids Ketones Secondary carboxylic acid amides Enamines Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - Dibenzopyran - Xanthene - Alpha-amino acid amide - Alkyldiarylamine - 3-alkylindole - 1-benzopyran - Amphetamine or derivatives - Benzyloxycarbonyl - Benzopyran - Benzenesulfonamide - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Piperidinecarboxamide - Indole or derivatives - Tertiary aliphatic/aromatic amine - Aralkylamine - N-acyl-amine - Monosaccharide - Monocyclic benzene moiety - Piperidine - Organosulfonic acid amide - Fatty acyl - Benzenoid - Fatty amide - Organosulfonic acid - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Carbamic acid ester - Dicarboximide - Organic sulfonic acid or derivatives - Ketone - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Enamine - Organic salt - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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