Compound Identification
SMILES
COC1=CC=C(NC(=O)COC2=C(C=C(Cl)C=C2)[C@@H]2C3C4CC(C3SC3=C2SC(=O)N3)C2C4C(=O)N(C(C)C(O)=O)C2=O)C=C1
InChIKey
InChIKey=RLGBKXHGUFQUKU-UGQDCKMPSA-N
Formula
C31H28ClN3O8S2
Mass
670.15
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alanine and derivatives
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Level 6
Alpha amino acids and derivatives
-
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 - Alpha amino acids and derivatives
Direct Parent
Alanine and derivatives
Alternative Parents
Aromatic monoterpenoids Isoindolones Anilides Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes N-arylamides Chlorobenzenes Alkyl aryl ethers Alkylarylthioethers Aryl chlorides Pyrrolidine-2-ones Thiopyrans N-alkylpyrrolidines N-substituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Thiazoles Lactams Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alanine or derivatives - Monoterpenoid - Isoindolone - Norbornane monoterpenoid - Aromatic monoterpenoid - Isoindoline - Isoindole or derivatives - Methoxyaniline - Anilide - N-arylamide - Methoxybenzene - Phenol ether - Anisole - Aryl thioether - Phenoxy compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Benzenoid - Carboxylic acid imide, n-substituted - N-alkylpyrrolidine - Thiopyran - Pyrrolidone - 2-pyrrolidone - Monocyclic benzene moiety - Carboxylic acid imide - Heteroaromatic compound - Pyrrolidine - Dicarboximide - Thiazole - Azole - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Thioether - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organic oxide - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available