Compound Identification
SMILES
OCC(O)C(O)C(O)C(O)CNC(=O)C(CCCCNC(=O)CCCOC1=C(CCC(O)=O)C(OCCCCOC2=C(CC=C)C3=C(C=C2)C(=O)CCC3)=CC=C1)NC(=O)C1=CN=C(N\N=C\C2=CC=CC=C2S(O)(=O)=O)C=C1
InChIKey
InChIKey=LCDSBBWHWZMEBR-DWEJNYCPSA-N
Formula
C55H70N6O17S
Mass
1119.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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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
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid amides Phenylpropanoic acids Tetralins Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Nicotinamides Aryl alkyl ketones Phenoxy compounds Phenol ethers Alkyl aryl ethers N-acyl amines Monosaccharides Imidolactams Sulfonyls Organosulfonic acids Heteroaromatic compounds Secondary carboxylic acid amides 1,2-diols Secondary alcohols Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrazones Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - 3-phenylpropanoic-acid - Tetralin - Benzenesulfonate - Nicotinamide - Pyridine carboxylic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Phenol ether - Aryl alkyl ketone - Aryl ketone - Phenoxy compound - Alkyl aryl ether - N-acyl-amine - Imidolactam - Monosaccharide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - Pyridine - Sulfonyl - Heteroaromatic compound - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Ketone - Secondary carboxylic acid amide - 1,2-diol - Secondary alcohol - Azacycle - Organoheterocyclic compound - Carboxylic acid - Ether - Hydrazone - Polyol - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available