Compound Identification
SMILES
CCCCCC(=O)N[C@@H](C=C(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]22[C@@H](OC3=CC=CC=C3)C3[C@@]4(COC4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)N(C)C)C(=C1C)C2(C)C)OC(C)=O
InChIKey
InChIKey=JFBLXMXVNGUNOG-MYKUDTPBSA-N
Formula
C45H60N2O15
Mass
868.974
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 Beta 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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Phenoxy compounds Phenol ethers Alkyl aryl ethers Fatty acid esters Carbonic acid diesters Dicarboxylic acids and derivatives Monosaccharides N-acyl amines 1,3-dioxolanes Carbamate esters Secondary carboxylic acid amides Secondary alcohols Oxetanes Carboxylic acid esters Cyclic alcohols and derivatives Ketones Dialkyl ethers Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Carbonic acid diester - Dicarboxylic acid or derivatives - Fatty amide - Monosaccharide - N-acyl-amine - Benzenoid - Fatty acyl - Carbamic acid ester - Meta-dioxolane - Cyclic alcohol - Oxetane - Carbonic acid derivative - Secondary carboxylic acid amide - Ketone - Secondary alcohol - Carboxamide group - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Alcohol - Organooxygen compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available