Compound Identification
SMILES
COC1=C(C)C=C2C[C@H]3[C@H](C#N)N4[C@H]5COC(=O)[C@H](CS[C@@H]([C@H]4[C@H](N3C(=O)OCC=C)C2=C1OCC=C)C1=C5C2=C(OCO2)C(C)=C1O)NC(=O)OCC(Cl)(Cl)Cl
InChIKey
InChIKey=YIWRCXSITNIDNM-BPUKYHHHSA-N
Formula
C38H39Cl3N4O11S
Mass
866.16
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
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Level 5
Amino acids and derivatives
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
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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
Alpha amino acid esters
Alternative Parents
Benzazocines Tetrahydroisoquinolines Piperazine carboxylic acids Benzodioxoles Anisoles Alkyl aryl ethers Aralkylamines N-alkylpiperazines Carbamate esters Trialkylamines Alpha-aminonitriles Lactones Carboxylic acid esters Acetals Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Alkyl chlorides Organopnictogen compounds Hydrocarbon derivatives Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzazocine - Tetrahydroisoquinoline - Benzodioxole - Piperazine-1-carboxylic acid - Anisole - Alkyl aryl ether - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - Carbamic acid ester - Carboxylic acid ester - Alpha-aminonitrile - Lactone - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Dialkylthioether - Organoheterocyclic compound - Azacycle - Thioether - Acetal - Ether - Monocarboxylic acid or derivatives - Nitrile - Carbonitrile - Alkyl halide - Organohalogen compound - Alkyl chloride - Organochloride - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Cyanide - Organopnictogen compound - Amine - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available