Compound Identification
SMILES
CC(C)(C)S(=O)(=O)C[C@H](CC1=CC=CC2=CC=CC=C12)C(=O)NCCC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)CCNC(=O)[C@@H](CC1=CC=CC2=CC=CC=C12)CS(=O)(=O)C(C)(C)C
InChIKey
InChIKey=DIHVPPHPVOCACO-VWCKXYCISA-N
Formula
C60H74N4O10S2
Mass
1075.39
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
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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
Naphthalenes Amphetamines and derivatives Fatty amides Sulfones Secondary carboxylic acid amides Secondary alcohols 1,2-diols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Beta amino acid or derivatives - Amphetamine or derivatives - Naphthalene - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - Sulfonyl - Sulfone - 1,2-diol - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Aromatic homopolycyclic 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