Compound Identification
SMILES
COC1=C(OC)C(OC)=C(CNC(=O)C[C@H]2S[C@@H](N(CC(=O)NCCCN3CCOCC3)C2=O)C2=C(Cl)C=C(Cl)C=C2)C=C1
InChIKey
InChIKey=LYMLWDVLIXWNRH-AYWVHJORSA-N
Formula
C30H38Cl2N4O7S
Mass
669.62
Taxonomic Classification
Taxonomy Tree
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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
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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
Alpha amino acids and derivatives
Alternative Parents
Anisoles Dichlorobenzenes Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Morpholines Aryl chlorides Tertiary carboxylic acid amides Thiazolidines Lactams Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Oxacyclic compounds Dialkylthioethers Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Phenol ether - 1,3-dichlorobenzene - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Morpholine - Aryl chloride - Oxazinane - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Thiazolidine - Tertiary amine - Lactam - Tertiary aliphatic amine - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkylthioether - Dialkyl ether - Thioether - Ether - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available