Compound Identification
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CCNC1=CC(C)=NC2=C1C=C(Cl)C=C2)CCC(=O)NC1=C(OCC2=CC=NC=C2)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=NCJBKYUCCUELCD-UHFFFAOYSA-N
Formula
C34H33ClN6O7S
Mass
705.18
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
4-aminoquinolines Chloroquinolines Nitrophenyl ethers Benzenesulfonamides Benzenesulfonyl compounds Anilides Phenoxy compounds Methoxybenzenes N-arylamides Nitroaromatic compounds Anisoles Methylpyridines Secondary alkylarylamines Alkyl aryl ethers Aminopyridines and derivatives Organosulfonamides Aryl chlorides Heteroaromatic compounds Aminosulfonyl compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic oxides Organochlorides Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Beta amino acid or derivatives - 4-aminoquinoline - Haloquinoline - Aminoquinoline - Chloroquinoline - Quinoline - Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Anilide - N-arylamide - Phenol ether - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Aminopyridine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Methylpyridine - Organosulfonic acid amide - Benzenoid - Pyridine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Ether - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Carbonyl group - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic zwitterion - Amine - Organic oxygen 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