Compound Identification
SMILES
CC(C)[C@H](NC(=O)O[C@H]1CCOC1)C(=O)N1CCC[C@H]1C1=NC2=C(N1)C=C(C=C2)C1=C(C=CS1)C1=CC2=C(C=C1)N=C(N2)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)O[C@H]1CCOC1)C(C)C
InChIKey
InChIKey=UHMBJPKWMDUMDG-OZLWYRDYSA-N
Formula
C46H56N8O8S
Mass
881.06
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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Valine and derivatives
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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
Valine and derivatives
Alternative Parents
Alpha amino acid amides Benzimidazoles N-acylpyrrolidines Benzenoids Thiophenes Tertiary carboxylic acid amides Oxolanes Imidazoles Heteroaromatic compounds Carbamate esters Tertiary amines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Valine or derivatives - Alpha-amino acid amide - Benzimidazole - N-acylpyrrolidine - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Oxolane - Carbamic acid ester - Thiophene - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available