Compound Identification
SMILES
CCC1N2CCC(N)(CC3=CC=C(C=C3)[N+]([O-])=O)C(=O)N2C(C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(O)C(=O)NCC2=CC=C(C=C2)C(N)=O)=C1S(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=NPWBOFOLOUVEOW-BRJPMJGRSA-N
Formula
C44H56N8O11S
Mass
905.04
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
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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
Tosyl compounds Alpha amino acids and derivatives Nitrobenzenes Benzenesulfonyl compounds Benzamides Nitroaromatic compounds Benzoyl derivatives Aralkylamines Diazinanes Monosaccharides N-acyl amines Pyridazines and derivatives Sulfones Carbamate esters Pyrazolines Secondary carboxylic acid amides Secondary alcohols Carboxylic acid hydrazides Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Organic salts Monoalkylamines Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Alpha-amino acid or derivatives - Tosyl compound - Nitrobenzene - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Nitroaromatic compound - Benzoyl - Aralkylamine - Toluene - Fatty acyl - 1,2-diazinane - Fatty amide - Monosaccharide - N-acyl-amine - Pyridazine - Benzenoid - Monocyclic benzene moiety - Pyrazoline - Sulfone - Sulfonyl - Carbamic acid ester - Secondary alcohol - Secondary carboxylic acid amide - Primary carboxylic acid amide - Organic nitro compound - Carboxamide group - Carboxylic acid hydrazide - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amine - Primary aliphatic amine - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - 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