Compound Identification
SMILES
COC1=CC=C(CO[C@H]([C@@H](NC(=O)OC(C)(C)C)C2=CC=CC=C2)C(=O)N2[C@H]3C[C@@H]4CC[C@@]3(CS2(=O)=O)C4(C)C)C=C1
InChIKey
InChIKey=RRGXTDVVAYSUMK-IMJJSSGQSA-N
Formula
C32H42N2O7S
Mass
598.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
Aromatic monoterpenoids Bicyclic monoterpenoids Benzylethers Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Gamma sultams Monosaccharides Carbamate esters Organosulfonic acids and derivatives Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Aromatic monoterpenoid - Bornane monoterpenoid - Monoterpenoid - Norbornane monoterpenoid - Benzylether - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Gamma-sultam - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Carbamic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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