Compound Identification
SMILES
COC1=CC=C(C=C1)[C@@H]1N[C@H]([C@@H](O1)C(=O)NC(=O)OC(C)(C)CC1C2CCC3(CNS(=O)(=O)C13)C2(C)C)C1=CC=CC=C1
InChIKey
InChIKey=KEYMQEKHNVQLMM-WPEVDJHSSA-N
Formula
C32H41N3O7S
Mass
611.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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
Aromatic monoterpenoids Bicyclic monoterpenoids Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Gamma sultams Organosulfonamides Organic sulfonamides Oxazolidines Dicarboximides Carbamate esters Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Aromatic monoterpenoid - Norbornane monoterpenoid - Bornane monoterpenoid - Monoterpenoid - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Gamma-sultam - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid amide - Dicarboximide - Oxazolidine - Carbamic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organoheterocyclic compound - Azacycle - Ether - Oxacycle - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - 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