Compound Identification
SMILES
CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12.CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO
InChIKey
InChIKey=OWWCPSXLFIALLD-AGNATJBLSA-N
Formula
C45H76N4O13S2
Mass
945.24
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
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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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Delta valerolactones Fatty acid esters Dicarboxylic acids and derivatives Monosaccharides N-acyl amines Oxanes Carboxylic acid esters Secondary carboxylic acid amides Dialkyldisulfides Secondary alcohols Sulfenyl compounds Oxacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols
Molecular Framework
Not available
Substituents
Beta amino acid or derivatives - Delta_valerolactone - Fatty acid ester - Delta valerolactone - N-acyl-amine - Monosaccharide - Oxane - Fatty amide - Fatty acyl - Dicarboxylic acid or derivatives - Secondary alcohol - Secondary carboxylic acid amide - Lactone - Carboxylic acid ester - Organic disulfide - Dialkyldisulfide - Carboxamide group - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Primary alcohol - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aliphatic 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