Compound Identification
SMILES
O[C@H](CCCCCOC1=CC(=CC(=N1)C1=CC=CC=C1)C1=CC2=C(OCO2)C=C1)NC(CC1=CC=C(OCCCNC(=O)C2=CN=C([NH2+]\N=C\C3=CC=CC=C3S([O-])(=O)=O)C=C2)C=C1)C(O)=O
InChIKey
InChIKey=FVTCLOWIXKOFMX-CNOLJOKMSA-N
Formula
C49H50N6O11S
Mass
931.03
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
-
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
Phenylpyridines Phenylpropanoic acids Amphetamines and derivatives Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzodioxoles Nicotinamides Phenoxy compounds Phenol ethers Alkyl aryl ethers Sulfonyls Organosulfonic acids Heteroaromatic compounds Secondary carboxylic acid amides Hemiaminals Carboxylic acids Acetals Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organopnictogen compounds Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - 2-phenylpyridine - 4-phenylpyridine - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzenesulfonate - Arylsulfonic acid or derivatives - Pyridine carboxylic acid or derivatives - Benzenesulfonyl group - Benzodioxole - 1-sulfo,2-unsubstituted aromatic compound - Nicotinamide - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyridine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Hemiaminal - Carboxamide group - Secondary carboxylic acid amide - Acetal - Alkanolamine - Oxacycle - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic zwitterion - 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