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-P
Formula
C100H107N9O17S3
Mass
1803.18
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
Xanthenes Alkyldiarylamines Alpha amino acid amides Benzenesulfonamides 3-alkylindoles Benzyloxycarbonyls Amphetamines and derivatives Piperidinecarboxamides 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Aralkylamines Organosulfonamides N-acyl amines Monosaccharides Sulfonyls Organosulfonic acids Heteroaromatic compounds Dicarboximides Carbamate esters Ketones Secondary carboxylic acid amides Oxacyclic compounds Enamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - Xanthene - Dibenzopyran - Alpha-amino acid amide - Alkyldiarylamine - Amphetamine or derivatives - 1-benzopyran - 3-alkylindole - Benzenesulfonamide - Benzopyran - Benzyloxycarbonyl - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Piperidinecarboxamide - Indole or derivatives - Benzenesulfonyl group - Tertiary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Monosaccharide - N-acyl-amine - Fatty amide - Fatty acyl - Piperidine - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Dicarboximide - Organosulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid - Sulfonyl - Carbamic acid ester - Secondary carboxylic acid amide - Ketone - Tertiary amine - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Enamine - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic cation - 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