Compound Identification
SMILES
CN1C2=C(C=C(C=C2)S(O)(=O)=O)C2(C)CCCCNC3=NC(NCCCC[N+]4=C(\C=C\C=C\C=C1/2)C(C)(C)C1=C4C=CC(=C1)S(O)(=O)=O)=NC(NCCC(=O)ON1C(=O)CCC1=O)=N3
InChIKey
InChIKey=FSDWBWQHANDLDF-UHFFFAOYSA-O
Formula
C43H52N9O10S2
Mass
919.06
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
3-alkylindoles 1-sulfo,2-unsubstituted aromatic compounds Tertiary alkylarylamines N-aliphatic s-triazines Pyrrolidine-2-ones 1,3,5-triazines Benzenoids Sulfonyls Organosulfonic acids Heteroaromatic compounds Dicarboximides Lactams Monocarboxylic acids and derivatives Enamines Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - 3-alkylindole - Arylsulfonic acid or derivatives - Indole or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Amino-1,3,5-triazine - Aminotriazine - N-aliphatic s-triazine - Pyrrolidone - 1,3,5-triazine - 2-pyrrolidone - Benzenoid - Triazine - Dicarboximide - Heteroaromatic compound - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary amine - Lactam - Azacycle - Organoheterocyclic compound - Enamine - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Amine - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic cation - 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